CID int64 1 171M | Title stringlengths 2 898 | MolecularFormula stringlengths 1 40 | IUPACName stringlengths 3 2.71k ⌀ | InChI stringlengths 10 3.8k | SMILES stringlengths 1 1.71k | Synonyms stringlengths 2 228k |
|---|---|---|---|---|---|---|
301 | Chlorohydroquinone | C6H5ClO2 | 2-chlorobenzene-1,4-diol | InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H | C1=CC(=C(C=C1O)Cl)O | ['chlorohydroquinone', '2-chlorobenzene-1,4-diol', '2-Chlorohydroquinone', 'Chloroquinol', 'Monochlorohydroquinone', '1,4-Benzenediol, 2-chloro-', '2-Chloro-1,4-benzenediol', 'Hydroquinone, chloro-', '2,5-Dihydroxychlorobenzene', '2-Chloro-1,4-dihydroxybenzene', '1,4-Dihydroxy-2-chlorobenzene', '2-Chloro-1,4-hydroxyqui... |
302 | 4-(3,12-Dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid | C24H38O5 | 4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid | InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29) | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C | ['7-Cheto-deoxycholic acid'] |
303 | Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- | C24H40O5 | 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid | InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C | ['GALL', 'Bile acid', 'Choleinsaure', 'Acid, Cholic', 'BHQCQFFYRZLCQQ-UHFFFAOYSA-N', 'Ursodeoxycholic Acid EP Impurity D;7-Epicholic acid;Ursocholate'] |
304 | Cholest-5-en-3-ol | C27H46O | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3 | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ['Cholest-5-en-3-ol', 'Cholest-5-en-3-ol #', 'Cholest-5-en-3-ol (3 alpha)'] |
305 | Choline | C5H14NO+ | 2-hydroxyethyl(trimethyl)azanium | InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | C[N+](C)(C)CCO | ['choline', 'Choline ion', 'Bilineurine', 'Choline cation', '2-Hydroxy-N,N,N-trimethylethanaminium', 'Cholinum', 'Ethanaminium, 2-hydroxy-N,N,N-trimethyl-', '(2-Hydroxyethyl)trimethylammonium', 'trimethylethanolamine', 'vitamin J', 'N-trimethylethanolamine', '2-hydroxyethyl(trimethyl)azanium', 'N,N,N-trimethylethanol-a... |
306 | 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | C10H10O6 | 3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15) | C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O | [] |
307 | 3-Phenyl-propenal | C9H8O | 3-phenylprop-2-enal | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H | C1=CC=C(C=C1)C=CC=O | ['3-phenyl-propenal', '3-Phenyl-2-propenal', 'Propenaldehyde, 3-phenyl-', '2-Propenaldehyde, 3-phenyl-', 'formylstyrene', '3-phenyl-prop-2-enal', '3-phenyl-2-propen-1-one'] |
308 | Phenylallyl alcohol | C9H10O | 3-phenylprop-2-en-1-ol | InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2 | C1=CC=C(C=C1)C=CCO | ['Phenylallyl alcohol', '3-Phenyl-2-propenol', '3-phenyl-2-propene-1-ol', 'trans-cinnamic alcohol', '1-Phenyl-1-propen-3-ol', 'styrene-methanol', 'Phenyl-2-propenol', '(Hydroxymethyl)styrene', 'Cinnamyl alcohol, 8CI', '(3-phenyl)-allyl alcohol', '3-phenyl-prop-2-en-1-ol'] |
309 | 1-Propene-1,2,3-tricarboxylic acid | C6H6O6 | prop-1-ene-1,2,3-tricarboxylic acid | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) | C(C(=CC(=O)O)C(=O)O)C(=O)O | ['ACONITIC ACID', '1-Propene-1,2,3-tricarboxylic acid', 'Propene-1,2,3-tricarboxylic acid', 'aconitate', '1-Propene-1,2,3-tricarboxylic acid, cis-', 'GTZCVFVGUGFEME-UHFFFAOYSA-N'] |
310 | 2,4-Hexadienedioic acid, (2Z,4Z)- | C6H6O4 | hexa-2,4-dienedioic acid | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10) | C(=CC(=O)O)C=CC(=O)O | ['2,4-Hexadienedioic acid, (2Z,4Z)-', 'TXXHDPDFNKHHGW-UHFFFAOYSA-N'] |
311 | Citric Acid | C6H8O7 | 2-hydroxypropane-1,2,3-tricarboxylic acid | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | ['citric acid', 'Citric acid, anhydrous', '2-hydroxypropane-1,2,3-tricarboxylic acid', 'Anhydrous citric acid', 'Aciletten', 'Citro', 'Citretten', 'Chemfill', 'Citric acid anhydrous', 'Hydrocerol A', '1,2,3-Propanetricarboxylic acid, 2-hydroxy-', 'Kyselina citronova', '2-hydroxy-1,2,3-propanetricarboxylic acid', '2-Hyd... |
312 | Chloride Ion | Cl- | chloride | InChI=1S/ClH/h1H/p-1 | [Cl-] | ['chloride', 'chloride ion', 'Chloride anion', 'Chloride(1-)', 'Chloride (ion)', 'Chlorides', 'Chloride ions', 'Perchloride', 'Chlorine anion', 'Chlorine, ion', 'Cl-', 'CHLORIDE STANDARD', 'Hydrochloric acid, ion(1-)', 'Cl(-)', '.beta.-D-Galactopyranoside, 4-hydroxybutyl', '1,2-bis[4-fluoro-6-{4-sulfo-5-(2-(4-sulfonaph... |
313 | Hydrochloric Acid | ClH | chlorane | InChI=1S/ClH/h1H | Cl | ['hydrochloric acid', 'hydrogen chloride', 'Muriatic acid', 'chlorane', 'Chlorohydric acid', 'Acide chlorhydrique', 'Anhydrous hydrochloric acid', 'Chlorwasserstoff', 'Muriaticum acidum', 'Chloorwaterstof', 'Chlorowodor', 'Acido cloridrico', 'Bowl Cleaner', 'Hydrogen chloride (HCl)', "chlorure d'hydrogene", 'Hydrogench... |
314 | Cytosine arabinoside monophosphate | C9H14N3O8P | [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O | ['Cytosine arabinoside monophosphate', '[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate', '4-amino-1-(5-O-phosphonopentofuranosyl)pyrimidin-2(1H)-one', '(5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate', "1-.beta.-D-Arabinofuranosylcytosine 5'-p... |
315 | 8-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5,6,7-tetrahydroxy-2-oxooctanoic acid | C17H26N3O15P | 8-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5,6,7-tetrahydroxy-2-oxooctanoic acid | InChI=1S/C17H26N3O15P/c18-10-1-2-20(17(30)19-10)15-14(27)13(26)9(35-15)5-34-36(31,32)33-4-8(23)12(25)11(24)6(21)3-7(22)16(28)29/h1-2,6,8-9,11-15,21,23-27H,3-5H2,(H,28,29)(H,31,32)(H2,18,19,30) | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OCC(C(C(C(CC(=O)C(=O)O)O)O)O)O)O)O | [] |
316 | 5-Acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid | C20H31N4O16P | 5-acetamido-2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid | InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34) | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O | ['CMP-Neu5Ac', 'N-Acetyl-b-neuraminic acid'] |
317 | [[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate | C21H36N7O16P3S | [[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O | [] |
318 | Cobalt;3-[2,13,18-tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide | C48H75CoN11O8 | cobalt;3-[2,13,18-tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide | InChI=1S/C48H75N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;/h23-24,26-29,39,43,60H,10-22H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H2,52,64)(H2,53,65)... | CC1C2C(C(C(=N2)CC3=NC(=C(C4=NC(C5C(C(C1=N5)(C)CCC(=O)NCC(C)O)CC(=O)N)(C(C4CCC(=O)N)(C)CC(=O)N)C)C)C(C3CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N.[Co] | [] |
319 | 3-[2,13,18-Tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide | C48H75N11O8 | 3-[2,13,18-tris(2-amino-2-oxoethyl)-12,17-bis(3-amino-3-oxopropyl)-3-[3-(2-hydroxypropylamino)-3-oxopropyl]-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,10,12,17-octahydrocorrin-7-yl]propanamide | InChI=1S/C48H75N11O8/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43/h23-24,26-29,39,43,60H,10-22H2,1-9H3,(H2,49,61)(H2,50,62)(H2,51,63)(H2,52,64)(H2,53,65)(H2,... | CC1C2C(C(C(=N2)CC3=NC(=C(C4=NC(C5C(C(C1=N5)(C)CCC(=O)NCC(C)O)CC(=O)N)(C(C4CCC(=O)N)(C)CC(=O)N)C)C)C(C3CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N | [] |
320 | 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol | C11H16N4O5 | 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol | InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13) | C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O | ['3-pentofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol', '2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol'] |
321 | coproporphyrinogen III | C36H44N4O8 | 3-[8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid | InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) | CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O)C | ['coproporphyrinogen III', 'coproporphyrinogen', 'coproporphyrinogen-III', 'NIUVHXTXUXOFEB-UHFFFAOYSA-N', 'Coproporphyrin III, hexahydro deriv.'] |
322 | 4-Hydroxycinnamic acid | C9H8O3 | 3-(4-hydroxyphenyl)prop-2-enoic acid | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) | C1=CC(=CC=C1C=CC(=O)O)O | ['4-trans-4-Hydroxycinnamic acid', '4-hydroxy cinnamic acid', '(Z)-3-(4-hydroxyphenyl)acrylic acid', '2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-', '4hydroxycinnamic acid', 'p-hydroxy cinnamic acid', '4- hydroxycinnamic acid', '4-hy droxycinnamic acid', '4-hydroxy-cinnamic acid', 'NGSWKAQJJWESNS-UHFFFAOYSA-N', '3-(4-... |
323 | Coumarin | C9H6O2 | chromen-2-one | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | C1=CC=C2C(=C1)C=CC(=O)O2 | ['coumarin', '2H-Chromen-2-one', '2H-1-Benzopyran-2-one', 'cumarin', '1,2-Benzopyrone', 'chromen-2-one', 'Rattex', 'Coumarinic anhydride', 'Tonka bean camphor', 'Coumarine', 'cis-o-Coumarinic acid lactone', 'Coumarinic lactone', 'o-Hydroxycinnamic acid lactone', 'Benzo-alpha-pyrone', 'o-Hydroxycinnamic lactone', '2-Oxo... |
324 | S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-(4-hydroxyphenyl)prop-2-enethioate | C30H42N7O18P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate | InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C=CC4=CC=C(C=C4)O)O | [] |
325 | 4-Isopropylbenzyl alcohol | C10H14O | (4-propan-2-ylphenyl)methanol | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 | CC(C)C1=CC=C(C=C1)CO | ['4-isopropylbenzyl alcohol', 'Cumic alcohol', 'Cuminol', '(4-Isopropylphenyl)methanol', 'cuminyl alcohol', 'cuminic alcohol', 'Cumyl alcohol', 'p-Cymen-7-ol', 'CUMIN ALCOHOL', 'p-Isopropylbenzyl alcohol', 'Benzenemethanol, 4-(1-methylethyl)-', 'p-cumic alcohol', '4-(1-Methylethyl)benzenemethanol', 'Benzyl alcohol, p-i... |
326 | Cuminaldehyde | C10H12O | 4-propan-2-ylbenzaldehyde | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 | CC(C)C1=CC=C(C=C1)C=O | ['4-isopropylbenzaldehyde', 'cuminaldehyde', 'cuminic aldehyde', 'cumaldehyde', 'cuminal', 'p-cumic aldehyde', 'Cumic aldehyde', 'Benzaldehyde, 4-(1-methylethyl)-', 'Cuminyl aldehyde', 'P-ISOPROPYLBENZALDEHYDE', '4-(1-Methylethyl)benzaldehyde', 'p-Isopropylbenzenecarboxaldehyde', 'p-Cuminic aldehyde', 'Benzaldehyde, p-... |
327 | CID 327 | C14H8N2O8 | 5-hydroxy-4-oxo-1,6-dihydropyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid | InChI=1S/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15-16,18H,(H,19,20)(H,21,22)(H,23,24) | C1=C(NC2=C1C(=O)C(=C3C2=C(C=C(N3)C(=O)O)C(=O)O)O)C(=O)O | [] |
328 | 4-Hydroxyphenylglycolic acid | C8H8O4 | 2-hydroxy-2-(4-hydroxyphenyl)acetic acid | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) | C1=CC(=CC=C1C(C(=O)O)O)O | ['4-HMA', '2-hydroxy-2-(4-hydroxyphenyl)acetic acid', '4-Hydroxyphenylglycolic acid', '4-Hydroxymandelic acid', 'p-Hydroxymandelic acid', 'DL-4-Hydroxymandelic acid', 'Hydroxy(4-hydroxyphenyl)acetic acid', 'Benzeneacetic acid, alpha,4-dihydroxy-', 'Mandelic acid, p-hydroxy-', '4-Hydroxy-DL-mandelic acid', '(RS)-p-Hydro... |
329 | (3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate | C6H13O7PS | (3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate | InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12) | CSCC(C(C(=O)COP(=O)(O)O)O)O | ['(3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate', '(3,4-DIHYDROXY-5-METHYLSULFANYL-2-OXO-PENTOXY)PHOSPHONIC ACID', 'S-Methyl-5-thio-D-ribulose 1-phosphoric acid', 'S-Methyl-5-thio-D-ribulose 1-phosphoric acid(2-)'] |
330 | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | C27H46O | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3 | CC(C)CCCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C | ['Cholest-8-en-3-ol'] |
331 | 3,5-Diaminohexanoate | C6H14N2O2 | 3,5-diaminohexanoic acid | InChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10) | CC(CC(CC(=O)O)N)N | ['3,5-diaminohexanoic acid', '3,5-Diaminohexanoate', 'Hexanoic acid, 3,5-diamino-', '3,5-Diaminohexansaeure'] |
332 | 2-Methoxy-4-vinylphenol | C9H10O2 | 4-ethenyl-2-methoxyphenol | InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 | COC1=C(C=CC(=C1)C=C)O | ['2-Methoxy-4-vinylphenol', '4-vinylguaiacol', 'p-Vinylguaiacol', '4-Hydroxy-3-methoxystyrene', '4-ETHENYL-2-METHOXYPHENOL', 'Phenol, 4-ethenyl-2-methoxy-', 'o-methoxy-p-vinylphenol', 'para-vinylguaiacol', 'Guaiacol, 4-vinyl-', 'p-Vinyl guaiacol', '4-vinyl-2-methoxyphenol', 'Phenol, 2-methoxy-4-vinyl-', '4-Hydroxy-3-me... |
333 | 5-Amino-6 (5'phosphoribitylamino)uracil | C9H17N4O9P | [5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-2,3,4-trihydroxypentyl] dihydrogen phosphate | InChI=1S/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18) | C(C(C(C(COP(=O)(O)O)O)O)O)NC1=C(C(=O)NC(=O)N1)N | ['RQRINYISXYAZKL-UHFFFAOYSA-N', "5-amino-6 (5'phosphoribitylamino)uracil", "5-amino-6-(5'phosphoribitylamino)uracil"] |
334 | 7-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | C27H44O2 | 7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3 | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C | ['7-Hydroxycholest-4-en-3-one'] |
335 | o-Cresol | C7H8O | 2-methylphenol | InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 | CC1=CC=CC=C1O | ['o-cresol', '2-Methylphenol', 'Orthocresol', '2-hydroxytoluene', '2-Cresol', 'Phenol, 2-methyl-', 'o-methylphenol', 'o-Cresylic acid', 'o-Oxytoluene', 'o-Toluol', '1-Hydroxy-2-methylbenzene', 'ortho-cresol', 'o-Hydroxytoluene', 'o-Methylphenylol', 'o-Kresol', 'Cresol, ortho-', 'Cresol, o-', '2-Hydroxy-1-methylbenzene'... |
336 | Ureidoglycolic Acid | C3H6N2O4 | 2-(carbamoylamino)-2-hydroxyacetic acid | InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9) | C(C(=O)O)(NC(=O)N)O | ['Ureidoglycolic Acid', 'ureidoglycolate', '(carbamoylamino)(hydroxy)acetic acid', '2-(carbamoylamino)-2-hydroxyacetic acid', '(2S)-(carbamoylamino)(hydroxy)acetic acid', '2-Hydroxy-2-ureidoaceticacid', '2-Hydroxy-2-ureidoacetic acid'] |
337 | 3,4,5-Trihydroxypentan-2-one | C5H10O4 | 3,4,5-trihydroxypentan-2-one | InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3 | CC(=O)C(C(CO)O)O | ['3,4,5-trihydroxypentan-2-one'] |
338 | Salicylic Acid | C7H6O3 | 2-hydroxybenzoic acid | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | C1=CC=C(C(=C1)C(=O)O)O | ['salicylic acid', '2-Hydroxybenzoic acid', 'o-hydroxybenzoic acid', '2-Carboxyphenol', 'o-Carboxyphenol', 'Rutranex', 'Salonil', 'Retarder W', 'Duoplant', 'Keralyt', 'Psoriacid-S-stift', 'Freezone', 'Saligel', 'Ionil', 'Benzoic acid, 2-hydroxy-', 'Salicylic acid soap', 'Stri-Dex', 'Verrugon', 'Salicylic acid collodion... |
339 | Aminoethylphosphonic Acid | C2H8NO3P | 2-aminoethylphosphonic acid | InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) | C(CP(=O)(O)O)N | ['(2-Aminoethyl)phosphonic acid', '2-aminoethylphosphonic acid', 'Ciliatine', 'Phosphonoethylamine', '2-Aminoethanephosphonic acid', 'AMINOETHYLPHOSPHONIC ACID', 'Phosphonic acid, (2-aminoethyl)-', '(2-Aminoethane)phosphonic acid', '(2-aminoethyl)phosphonate', '2-Aminoethylphosphonate', 'beta-Aminoethylphosphonic acid'... |
340 | 3-Methylcatechol | C7H8O2 | 3-methylbenzene-1,2-diol | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 | CC1=C(C(=CC=C1)O)O | ['3-methylcatechol', '3-methylbenzene-1,2-diol', '2,3-dihydroxytoluene', '3-Methylpyrocatechol', '1,2-Benzenediol, 3-methyl-', '2,3-Toluenediol', '1,2-Dihydroxy-3-methylbenzene', 'Pyrocatechol, 3-methyl-', 'Catechol, 3-methyl-', '3-Methyl-1,2-benzenediol', 'Dihydroxytoluene', '3-Methyl-1,2-dihydroxybenzene', '3-METHYL-... |
341 | Digallic Acid | C14H10O9 | 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoic acid | InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21) | C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)O | ['Digallic acid', 'm-Digallic acid', 'm-Galloylgallic acid', 'Gallic acid 3-monogallate', 'm-Galloyl gallic acid', '3-Galloyl gallic acid', 'Gallic acid, 3-gallate', '3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoic acid', 'gallic acid 5,6-dihydroxy-3-carboxyphenyl ester', 'DIGALLIC ACID, M-', 'DIGALLIC ACID [MI]'... |
342 | M-Cresol | C7H8O | 3-methylphenol | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 | CC1=CC(=CC=C1)O | ['m-cresol', '3-methylphenol', 'Metacresol', 'Phenol, 3-methyl-', 'meta-cresol', '3-cresol', '3-hydroxytoluene', 'm-methylphenol', 'm-kresol', 'm-cresylic acid', '1-hydroxy-3-methylbenzene', 'm-oxytoluene', 'm-toluol', 'm-Hydroxytoluene', 'meta-cresylic acid', 'Cresol, m-', 'm-Kresol [German]', 'm-cresylic', 'm-Cresole... |
343 | 2,4,5,6,7-Pentahydroxyhexahydro-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one | C6H11O8P | 2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol | InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12) | C1(C(C(C2C(C1O)OP(=O)(O2)O)O)O)O | ['2,4,5,6,7-Pentahydroxyhexahydro-2H-1,3,2lambda~5~-benzodioxaphosphol-2-one'] |
344 | 3,4,5-Trihydroxycyclohexane-1,2-dione | C6H8O5 | 3,4,5-trihydroxycyclohexane-1,2-dione | InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2 | C1C(C(C(C(=O)C1=O)O)O)O | [] |
345 | But-2-ene-1,2,3-tricarboxylic acid | C7H8O6 | but-2-ene-1,2,3-tricarboxylic acid | InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13) | CC(=C(CC(=O)O)C(=O)O)C(=O)O | ['methylaconitic acid', 'but-2-ene-1,2,3-tricarboxylic acid'] |
346 | 2-(Hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | C12H16O7 | 2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2 | C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O | ['4-Hydroxyphenyl hexopyranoside', 'p-Hydroxyphenyl .beta.-D-glucoside', 'Hydroquinone .beta.-D-glucopyranoside', 'p-Hydroxyphenyl .beta.-D-glucopyranoside', '.beta.-D-Glucopyranoside, 4-hydroxyphenyl', '.beta.-Arbutin', '(c) paragraph sign-Arbutin', '2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol', 'BJRNKVDFD... |
347 | 2-(Hydroxymethyl)-6-[3-(hydroxymethyl)phenoxy]oxane-3,4,5-triol | C13H18O7 | 2-(hydroxymethyl)-6-[3-(hydroxymethyl)phenoxy]oxane-3,4,5-triol | InChI=1S/C13H18O7/c14-5-7-2-1-3-8(4-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 | C1=CC(=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)CO | [] |
348 | [3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl dihydrogen phosphate | C12H17O10P | [3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl dihydrogen phosphate | InChI=1S/C12H17O10P/c13-6-1-3-7(4-2-6)21-12-11(16)10(15)9(14)8(22-12)5-20-23(17,18)19/h1-4,8-16H,5H2,(H2,17,18,19) | C1=CC(=CC=C1O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O | [] |
349 | a 3-Dehydropyranose | C6H10O6 | 2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-one | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2 | C(C1C(C(=O)C(C(O1)O)O)O)O | ['a 3-dehydropyranose'] |
350 | 3-Phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid | C11H22NO7PS | 3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid | InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18) | CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O | [] |
351 | 3-Phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid | C13H26NO10PS3 | 3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid | InChI=1S/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23) | CC(C(C(=O)O)NC(=O)CCCCCCSSCCS(=O)(=O)O)OP(=O)(O)O | [] |
352 | 4-Amino-5-[[2-amino-6-[1,2-bis[(2-amino-4-carboxybutanoyl)oxy]propyl]-5,8-dihydropteridin-4-yl]oxy]-5-oxopentanoic acid | C24H34N8O12 | 4-amino-5-[[2-amino-6-[1,2-bis[(2-amino-4-carboxybutanoyl)oxy]propyl]-5,8-dihydropteridin-4-yl]oxy]-5-oxopentanoic acid | InChI=1S/C24H34N8O12/c1-9(42-21(39)10(25)2-5-14(33)34)18(43-22(40)11(26)3-6-15(35)36)13-8-29-19-17(30-13)20(32-24(28)31-19)44-23(41)12(27)4-7-16(37)38/h8-12,18,30H,2-7,25-27H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H3,28,29,31,32) | CC(C(C1=CNC2=C(N1)C(=NC(=N2)N)OC(=O)C(CCC(=O)O)N)OC(=O)C(CCC(=O)O)N)OC(=O)C(CCC(=O)O)N | [] |
353 | 4-amino-5-[[2-amino-6-[1,2-bis[(2-amino-4-carboxybutanoyl)oxy]propyl]-5-methyl-8H-pteridin-4-yl]oxy]-5-oxopentanoic acid | C25H36N8O12 | 4-amino-5-[[2-amino-6-[1,2-bis[(2-amino-4-carboxybutanoyl)oxy]propyl]-5-methyl-8H-pteridin-4-yl]oxy]-5-oxopentanoic acid | InChI=1S/C25H36N8O12/c1-10(43-22(40)11(26)3-6-15(34)35)19(44-23(41)12(27)4-7-16(36)37)14-9-30-20-18(33(14)2)21(32-25(29)31-20)45-24(42)13(28)5-8-17(38)39/h9-13,19H,3-8,26-28H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H3,29,30,31,32) | CC(C(C1=CNC2=C(N1C)C(=NC(=N2)N)OC(=O)C(CCC(=O)O)N)OC(=O)C(CCC(=O)O)N)OC(=O)C(CCC(=O)O)N | [] |
354 | 2-Oxohept-3-enedioic acid | C7H8O5 | 2-oxohept-3-enedioic acid | InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12) | C(CC(=O)O)C=CC(=O)C(=O)O | ['2-oxohept-3-enedioic acid', '2-oxo-hept-3-ene-1,7-dioic acid'] |
355 | 4-Hydroxyphenylglyoxylic acid | C8H6O4 | 2-(4-hydroxyphenyl)-2-oxoacetic acid | InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12) | C1=CC(=CC=C1C(=O)C(=O)O)O | ['4-Hydroxyphenylglyoxylic acid', '2-(4-hydroxyphenyl)-2-oxoacetic acid', 'Pisolithin A', '(4-hydroxyphenyl)(oxo)acetic acid', '4-Hydroxyphenylglyoxylate', '4-Hydroxyphenylglyoxylicacid', 'Benzeneacetic acid, 4-hydroxy-alpha-oxo-', 'para-Hydroxybenzoylformic acid', '4-hydroxybenzoylformate', 'p-hydroxybenzoylformic aci... |
356 | Octane | C8H18 | octane | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 | CCCCCCCC | ['octane', 'n-octane', 'Oktan', 'Oktanen', 'Ottani', 'n-Oktan', 'Oktanen [Dutch]', 'Oktan [Polish]', 'Ottani [Italian]', 'UNII-X1RV0B2FJV', 'X1RV0B2FJV', 'CH3-[CH2]6-CH3', 'Heptane, methyl-', 'Octane, all isomers', 'CH3-(CH2)6-CH3', 'octano', 'Normal octane', 'normal-Octane', 'octan', 'Octanes', 'Octil', 'MG8', 'OTTANE... |
357 | 1,3,4,6-Tetrachloro-1,4-cyclohexadiene | C6H4Cl4 | 1,3,4,6-tetrachlorocyclohexa-1,4-diene | InChI=1S/C6H4Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H | C1=C(C(C=C(C1Cl)Cl)Cl)Cl | ['1,3,4,6-tetrachloro-1,4-cyclohexadiene', '1,3,4,6-tetrachlorocyclohexa-1,4-diene'] |
358 | 5-Amino-3-oxohexanoic acid | C6H11NO3 | 5-amino-3-oxohexanoic acid | InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10) | CC(CC(=O)CC(=O)O)N | ['5-Amino-3-oxohexanoic acid', '3-Keto-5-aminohexanoate'] |
359 | Phloroglucinol | C6H6O3 | benzene-1,3,5-triol | InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H | C1=C(C=C(C=C1O)O)O | ['phloroglucinol', 'Benzene-1,3,5-triol', '1,3,5-benzenetriol', '1,3,5-trihydroxybenzene', 'Phloroglucin', 'Phloroglucine', 'Spasfon-Lyoc', 'Dilospan S', 'sym-Trihydroxybenzene', 's-Trihydroxybenzene', 'Benzene-s-triol', '5-Hydroxyresorcinol', 'Benzene, trihydroxy', 'Phloroglucinol anhydrous', '5-Oxyresorcinol', '3,5-D... |
360 | 3,8-Dimethyldec-7-enyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate | C18H35O9P | 3,8-dimethyldec-7-enyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate | InChI=1S/C18H35O9P/c1-4-12(2)7-5-6-8-13(3)9-10-25-28(23,24)27-18-17(22)16(21)15(20)14(11-19)26-18/h7,13-22H,4-6,8-11H2,1-3H3,(H,23,24) | CCC(=CCCCC(C)CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O)C | [] |
361 | Dihydrophloroglucinol | C6H8O3 | 3,5-dihydroxycyclohex-2-en-1-one | InChI=1S/C6H8O3/c7-4-1-5(8)3-6(9)2-4/h1,6-7,9H,2-3H2 | C1C(CC(=O)C=C1O)O | ['dihydrophloroglucinol', '3,5-dihydroxycyclohex-2-en-1-one', '3,5-Dihydroxycyclohex-2-enone'] |
362 | 1,2-Dihydronaphthalene-1,2-diol | C10H10O2 | 1,2-dihydronaphthalene-1,2-diol | InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H | C1=CC=C2C(C(C=CC2=C1)O)O | ['1,2-Dihydronaphthalene-1,2-diol', '1,2-Dihydroxy-1,2-dihydronaphthalene', '1,2-dihydro-1,2-dihydroxynaphthalene', 'syn-1,2-Dihydro-1,2-naphthalenediol', '(+/-)-trans-1,2-Dihydroxy-1,2-dihydronaphthalene', 'Naphthalene-1,2-dihydrodiol', '1,2-Naphthalenediol, 1,2-dihydro-', '(+)-CIS-1(R),2(S)-1,2-DIHYDROXY-1,2-DIHYDRON... |
363 | 2-Aminoacetaldehyde | C2H5NO | 2-aminoacetaldehyde | InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2 | C(C=O)N | ['2-Aminoacetaldehyde', 'aminoacetaldehyde', 'Acetaldehyde, amino-', 'Amino-Acetaldehyde', 'Acetaldehyde, amino-(8CI,9CI)', 'H-Gly-2-Chlorotrityl resin', 'LYIIBVSRGJSHAV-UHFFFAOYSA-N'] |
364 | 2,3-Diaminopropionic acid | C3H8N2O2 | 2,3-diaminopropanoic acid | InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) | C(C(C(=O)O)N)N | ['2,3-diaminopropanoic acid', '2,3-diaminopropionic acid', '3-Aminoalanine', 'DL-2,3-diaminopropionic acid', 'DL-3-Aminoalanine', '2,3-diaminopropionate', 'Alanine, 3-amino-', '2,3-DIAMINOPROPIONOIC ACID', 'Diaminopropionic acid', 'beta-Aminoalanine', '2,3-diaminopropanoate', 'alpha,beta-Diaminopropionic acid', '2-Amin... |
365 | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadeca-9,12-dienethioate | C39H66N7O17P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadeca-9,12-dienethioate | InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,... | CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | [] |
366 | 4-Methylumbelliferyl acetate | C12H10O4 | (4-methyl-2-oxochromen-7-yl) acetate | InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3 | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C | ['7-Acetoxy-4-methylcoumarin', '4-methylumbelliferyl acetate', '4-Methyl-2-oxo-2H-chromen-7-yl acetate', '2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-methyl-', '(4-methyl-2-oxochromen-7-yl) acetate', 'beta-Methylumbelliferyl acetate', '7-(Acetyloxy)-4-methyl-2-benzopyrone', 'Hymecromone Acetate', '4-methyl-7-acetyloxy couma... |
367 | CID 367 | C10H8O3 | 2-hydroxy-4-methylchromen-7-one | InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,12H,1H3 | CC1=C2C=CC(=O)C=C2OC(=C1)O | [] |
368 | Sym-homospermidine | C8H21N3 | N'-(4-aminobutyl)butane-1,4-diamine | InChI=1S/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2 | C(CCNCCCCN)CN | ['sym-homospermidine', 'bis(4-aminobutyl)amine', 'Homospermidine', '1,4-Butanediamine, N-(4-aminobutyl)-', 'N-(4-aminobutyl)-1,4-butanediamine', 'N1-(4-aminobutyl)butane-1,4-diamine', 'N-(4-aminobutyl)butane-1,4-diamine', "N'-(4-aminobutyl)butane-1,4-diamine", "4,4'-Diaminodibutylamine", '1,9-diamino-5-azanonane', "4,4... |
369 | CID 369 | C16H25N5O17P2 | 6-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-dihydroxy-λ5-phosphanyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | InChI=1S/C16H25N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26,32-33,40H,1H2,(H,28,29)(H,30,31)(H3,17,19,20,27) | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(O)(O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)NC(=NC2=O)N | [] |
370 | Gallic Acid | C7H6O5 | 3,4,5-trihydroxybenzoic acid | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) | C1=C(C=C(C(=C1O)O)O)C(=O)O | ['Gallic acid', '3,4,5-Trihydroxybenzoic acid', 'gallate', 'Benzoic acid, 3,4,5-trihydroxy-', 'Gallic acid, tech.', 'Kyselina gallova', 'Pyrogallol-5-carboxylic acid', 'GALOP', '3,4,5-Trihydroxybenzoate', 'Kyselina 3,4,5-trihydroxybenzoova', '3,4,5-Trihydroxybenzoic acid, anhydrous', '3,4,5-trihydroxy-Benzoic acid', 'G... |
371 | Acetylenedicarboxylic acid | C4H2O4 | but-2-ynedioic acid | InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8) | C(#CC(=O)O)C(=O)O | ['acetylenedicarboxylic acid', 'but-2-ynedioic acid', '2-butynedioic acid', 'Butynedioic acid', 'acetylene dicarboxylic acid', '2-Butyne-1,4-dioic acid', 'Acetylenedicarboxylicacid', 'Acetylendicarboxylate', 'acetylene dicarboxylic', 'HOOCC=CCOOH', 'AcetylendicarbonsA currencyure', 'Acetylenedicarboxylic acid (8CI)', '... |
372 | 2-oxo-2H-pyran-4,6-dicarboxylic acid | C7H4O6 | 6-oxopyran-2,4-dicarboxylic acid | InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12) | C1=C(C=C(OC1=O)C(=O)O)C(=O)O | ['2-oxo-2H-pyran-4,6-dicarboxylic acid', '6-oxopyran-2,4-dicarboxylic acid', '2-pyrone-4,6-dicarboxylic acid', '2-pyrone-4,6-dicarboxylate', '2H-Pyran-4,6-dicarboxylic acid, 2-oxo-', 'alpha-pyrone-4,6-dicarboxylic acid', 'pyrone-4,6-dicarboxylic acid', '2-oxo-2H-pyran-4,6-dicarboxylicacid', '6-Oxo-6H-pyran-2,4-dicarbox... |
373 | CID 373 | C7H6O7 | 2-(2,2-dihydroxyethenyl)-4-oxopent-2-enedioic acid | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,9-10H,(H,11,12)(H,13,14) | C(=C(C=C(O)O)C(=O)O)C(=O)C(=O)O | [] |
374 | 4-Oxobut-2-ene-1,2,4-tricarboxylic acid | C7H6O7 | 4-oxobut-2-ene-1,2,4-tricarboxylic acid | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14) | C(C(=CC(=O)C(=O)O)C(=O)O)C(=O)O | [] |
375 | Moraprenol 11 | C55H90O | 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol | InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C)C | [] |
376 | 3-Hydroxy-5-oxohexanoic acid | C6H10O4 | 3-hydroxy-5-oxohexanoic acid | InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10) | CC(=O)CC(CC(=O)O)O | ['3-Hydroxy-5-oxohexanoic acid', '3-Hydroxy-5-ketohexanoic acid', 'Hexanoic acid, 3-hydroxy-5-oxo-'] |
377 | [3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [3,8-dimethyldec-7-enoxy(hydroxy)phosphoryl] hydrogen phosphate | C20H39NO12P2 | [3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [3,8-dimethyldec-7-enoxy(hydroxy)phosphoryl] hydrogen phosphate | InChI=1S/C20H39NO12P2/c1-5-13(2)8-6-7-9-14(3)10-11-30-34(26,27)33-35(28,29)32-20-17(21-15(4)23)19(25)18(24)16(12-22)31-20/h8,14,16-20,22,24-25H,5-7,9-12H2,1-4H3,(H,21,23)(H,26,27)(H,28,29) | CCC(=CCCCC(C)CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C | [] |
378 | 4-Nitrophenyl phosphate | C6H6NO6P | (4-nitrophenyl) dihydrogen phosphate | InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O | ['4-nitrophenyl phosphate', '4-Nitrophenyl dihydrogen phosphate', 'p-nitrophenyl phosphate', 'Nitrophenylphosphate', 'Phosphoric acid, mono(4-nitrophenyl) ester', '(4-nitrophenyl) dihydrogen phosphate', 'p-Nitrophenol phosphate', 'p-Nitrophenyl dihydrogen phosphate', 'PNNP', 'PNPP', 'p-Nitrophenylphosphate', 'p-Nitroph... |
379 | Octanoic Acid | C8H16O2 | octanoic acid | InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) | CCCCCCCC(=O)O | ['octanoic acid', 'caprylic acid', 'n-octanoic acid', 'Octylic acid', 'n-caprylic acid', 'octoic acid', 'n-octylic acid', 'n-Octoic acid', '1-heptanecarboxylic acid', 'Enantic acid', 'Octic acid', 'C-8 acid', 'Caprylsaeure', 'Kaprylsaeure', 'Acido octanoico', 'Acide octanoique', 'Acidum octanocium', 'Kyselina kaprylova... |
380 | capryloyl-CoA | C29H50N7O17P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octanethioate | InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44) | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ['octanoyl-coenzyme A', 'capryloyl-CoA'] |
381 | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-5-oxohexanethioate | C27H44N7O19P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-5-oxohexanethioate | InChI=1S/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15-16,20-22,26,36,39-40H,4-11H2,1-3H3,(H,29,37)(H,30,41)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44) | CC(=O)CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O | [] |
382 | 4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+ | C28H40N7O18P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-hydroxybenzenecarbothioate | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4=CC=C(C=C4)O)O | ['4-Hydroxybenzoyl-coenzyme A; (Acyl-CoA); [M+H]+;'] |
383 | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanethioate | C45H74N7O20P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanethioate | InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(... | CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)O)C)O)O)C | [] |
384 | 2-(1-Carboxyethylamino)pentanoic acid | C8H15NO4 | 2-(1-carboxyethylamino)pentanoic acid | InChI=1S/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13) | CCCC(C(=O)O)NC(C)C(=O)O | [] |
385 | Pimelic acid | C7H12O4 | heptanedioic acid | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) | C(CCC(=O)O)CCC(=O)O | ['pimelic acid', 'Heptanedioic acid', '1,5-Pentanedicarboxylic acid', 'Pileric acid', 'Heptandioic acid', 'Heptane-1,7-dioic acid', 'pimelate', '6-carboxyhexanoate', '1,7-Heptanedioic acid', '6-carboxyhexanoic acid', 'Pimelicacid', 'PML', 'Heptandioate', 'Pilerate', 'Pentane-1,5-dicarboxylic acid', '1,7-Heptanedioate',... |
386 | [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid | C41H74N7O17P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate | InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2... | CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ['Phytanoyl-coenzyme A; (Acyl-CoA); [M+H]+;'] |
387 | S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} phenylethanethioate | C29H42N7O17P3S | S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-phenylethanethioate | InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O | [] |
388 | Malyl-coenzyme A | C25H40N7O20P3S | 4-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-hydroxy-4-oxobutanoic acid | InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43) | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C(=O)O)O)O | ['Malyl-coenzyme A', 'Coenzyme A, malyl-', 'malyl-CoA', 'Coenzyme A, S-(3-carboxy-3-hydroxypropanoate)'] |
389 | DL-ornithine | C5H12N2O2 | 2,5-diaminopentanoic acid | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) | C(CC(C(=O)O)N)CN | ['DL-Ornithine', '2,5-Diaminopentanoic acid', 'Ornithine, DL-', 'Ornithine DL-form', 'L-Ornithine-[2,3-3H]', '(+/-)-Ornithine', '2,5-Diaminovaleric acid', '(RS)-ORNITHINE', 'ORNITHINE DL-FORM [MI]', '2,5-Diaminopentanoate', '2,5-Diamino-pentanoic acid', '5-amino-2-azaniumylpentanoate', '2,5-diaminovaleric acid;hydrochl... |
390 | 6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | C15H22N2O18P2 | 6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26) | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O | ['HDYANYHVCAPMJV-UHFFFAOYSA-N'] |
391 | 3,8-Dimethyldec-7-en-1-yl trihydrogen diphosphate | C12H26O7P2 | 3,8-dimethyldec-7-enyl phosphono hydrogen phosphate | InChI=1S/C12H26O7P2/c1-4-11(2)7-5-6-8-12(3)9-10-18-21(16,17)19-20(13,14)15/h7,12H,4-6,8-10H2,1-3H3,(H,16,17)(H2,13,14,15) | CCC(=CCCCC(C)CCOP(=O)(O)OP(=O)(O)O)C | ['3,8-dimethyldec-7-en-1-yl trihydrogen diphosphate'] |
392 | Beta-Lysine | C6H14N2O2 | 3,6-diaminohexanoic acid | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10) | C(CC(CC(=O)O)N)CN | ['beta-lysine', '3,6-Diaminohexanoic acid', 'Hexanoic acid, 3,6-diamino-', 'Isolysine', '3,6-diamino-Hexanoic acid', 'ISOLYSIN', '3,6-Diaminohexanoicacid', '.BETA.-LYSINE', '(+-)-3,6-DIAMINO-HEXANOIC ACID'] |
393 | 2,4,5-Trihydroxy-3-oxo-6-phosphonooxyhexanoic acid | C6H11O10P | 2,4,5-trihydroxy-3-oxo-6-phosphonooxyhexanoic acid | InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15) | C(C(C(C(=O)C(C(=O)O)O)O)O)OP(=O)(O)O | [] |
394 | CID 394 | C43H55FeN8O6S2 | 3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6H-porphyrin-21,22,23-triid-2-yl]propanoic acid;iron(3+) | InChI=1S/C43H58N8O6S2.Fe/c1-9-25-33-17-36-40(23(5)58-18-28(44)42(56)46-7)22(4)32(50-36)14-30-20(2)26(10-12-38(52)53)34(48-30)16-35-27(11-13-39(54)55)21(3)31(49-35)15-37(51-33)41(25)24(6)59-19-29(45)43(57)47-8;/h14-17,23-24,28-29,37H,9-13,18-19,44-45H2,1-8H3,(H7,46,47,48,49,50,51,52,53,54,55,56,57);/q;+3/p-3 | CCC1=C(C2C=C3C(=C(C(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)C(C)SCC(C(=O)NC)N)C)C(=C4CCC(=O)O)C)[N-]3)CCC(=O)O)C)C(C)SCC(C(=O)NC)N.[Fe+3] | [] |
395 | 3-[7,12-Bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid | C43H58N8O6S2 | 3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6,21,23,24-tetrahydroporphyrin-2-yl]propanoic acid | InChI=1S/C43H58N8O6S2/c1-9-25-33-17-36-40(23(5)58-18-28(44)42(56)46-7)22(4)32(50-36)14-30-20(2)26(10-12-38(52)53)34(48-30)16-35-27(11-13-39(54)55)21(3)31(49-35)15-37(51-33)41(25)24(6)59-19-29(45)43(57)47-8/h14-17,23-24,28-29,37,48-50H,9-13,18-19,44-45H2,1-8H3,(H,46,56)(H,47,57)(H,52,53)(H,54,55) | CCC1=C(C2C=C3C(=C(C(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C(C)SCC(C(=O)NC)N)C)C)CCC(=O)O)N3)CCC(=O)O)C)C(C)SCC(C(=O)NC)N | [] |
396 | CID 396 | C43H55FeN8O6S2- | 3-[7,12-bis[1-[2-amino-3-(methylamino)-3-oxopropyl]sulfanylethyl]-18-(2-carboxyethyl)-8-ethyl-3,13,17-trimethyl-6H-porphyrin-21,22,23-triid-2-yl]propanoic acid;iron(2+) | InChI=1S/C43H58N8O6S2.Fe/c1-9-25-33-17-36-40(23(5)58-18-28(44)42(56)46-7)22(4)32(50-36)14-30-20(2)26(10-12-38(52)53)34(48-30)16-35-27(11-13-39(54)55)21(3)31(49-35)15-37(51-33)41(25)24(6)59-19-29(45)43(57)47-8;/h14-17,23-24,28-29,37H,9-13,18-19,44-45H2,1-8H3,(H7,46,47,48,49,50,51,52,53,54,55,56,57);/q;+2/p-3 | CCC1=C(C2C=C3C(=C(C(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)C(C)SCC(C(=O)NC)N)C)C(=C4CCC(=O)O)C)[N-]3)CCC(=O)O)C)C(C)SCC(C(=O)NC)N.[Fe+2] | [] |
397 | Indole-3-acetamide | C10H10N2O | 2-(1H-indol-3-yl)acetamide | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | C1=CC=C2C(=C1)C(=CN2)CC(=O)N | ['indole-3-acetamide', '2-(1H-Indol-3-yl)acetamide', '3-Indoleacetamide', '1H-Indole-3-acetamide', 'Indoleacetamide', '3-Indolylacetamide', '(indol-3-yl)acetamide', '1H-Indol-3-ylacetamide', '2-(3-Indolyl)acetamide', '1-Indole-3-acetamide', 'Indole-3-acetamide (6CI,8CI)', 'Indole-3-acetamide (8CI)', 'ZOAMBXDOGPRZLP-UHF... |
398 | 2-Nitropropane | C3H7NO2 | 2-nitropropane | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 | CC(C)[N+](=O)[O-] | ['2-nitropropane', 'Propane, 2-nitro-', 'Isonitropropane', 'Dimethylnitromethane', 'Nitroisopropane', 'sec-Nitropropane', '2-Nitro-propane', 'beta-Nitropropane', 'Isonitro propane', 'Nitropropane, 2-', '1-Methylnitroethane', 'i-C3H7NO2', 'propane, 2-nitro', '2-NITROPROPANE [MI]', '2-NITROPROPANE [HSDB]', '2-NITROPROPAN... |
399 | Buta-1,3-diene-1,2,4-tricarboxylic acid | C7H6O6 | buta-1,3-diene-1,2,4-tricarboxylic acid | InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13) | C(=CC(=O)O)C(=CC(=O)O)C(=O)O | ['buta-1,3-diene-1,2,4-tricarboxylic acid', '1,3-Butadiene-1,2,4-tricarboxylic acid,(Z,Z)'] |
400 | N-(2-formylphenyl)formamide | C8H7NO2 | N-(2-formylphenyl)formamide | InChI=1S/C8H7NO2/c10-5-7-3-1-2-4-8(7)9-6-11/h1-6H,(H,9,11) | C1=CC=C(C(=C1)C=O)NC=O | ['N-(2-formylphenyl)formamide', '2-formylphenylformamide', '2-formamidobenzaldehyde', '2-formylaminobenzaldehyde', 'Formamide, N-(2-formylphenyl)- (9CI)', 'N-(2-FORMYLPHENYL) FORMAMIDE'] |
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