 | | 429 | | Name: | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | | Formula: | C25 H30 N2 O10 | | SMILES: | O=C(OC)c2c(O)cccc2OCCCCNC(=O)C(NC(=O)C)Cc1ccc(OCC(=O)O)c(O)c1 | | InChi: | InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1 | | Synonyms: | COMPOUND 20 | | Definition date: | 2003-09-16 | | Last modified: | 2021-03-01 | | Identifier: | {4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acid |
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 | | 42U | | Name: | 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline | | Formula: | C22 H23 F4 N5 | | SMILES: | FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4 | | InChi: | InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30) | | Synonyms: | CBR-9393 | | Definition date: | 2015-01-23 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-22 | | Identifier: | 4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline |
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 | | 43X | | Name: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate | | Formula: | C8 H11 F N3 O6 P S | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2 | | InChi: | InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1 | | Synonyms: | FTC-MP | | Definition date: | 2015-02-03 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-11 | | Identifier: | [(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate |
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 | | 44D | | Name: | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE | | Formula: | C32 H37 N O13 | | SMILES: | O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C | | InChi: | InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1 | | Synonyms: | 4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN | | Definition date: | 2002-12-16 | | Last modified: | 2021-03-01 | | Identifier: | (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside |
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 | | NAI | | Name: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | | Formula: | C21 H29 N7 O14 P2 | | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | NADH | | Definition date: | 1999-12-13 | | Last modified: | 2021-03-01 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | 451 | | Name: | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide | | Formula: | C22 H27 N O7 | | SMILES: | O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C | | InChi: | InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24) | | Synonyms: | N-(Dibenzo-18-crown-6-ether)-acetamide | | Definition date: | 2009-01-28 | | Last modified: | 2021-03-01 | | Identifier: | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide |
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 | | 460 | | Name: | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | | Formula: | C17 H15 N5 | | SMILES: | n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C | | InChi: | InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3 | | Synonyms: | NAPHTHYRIDINE INHIBITOR | | Definition date: | 2004-04-21 | | Last modified: | 2021-03-01 | | Identifier: | 2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine |
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 | | NC3 | | Name: | N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE | | Formula: | C9 H16 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCC(=O)O | | InChi: | InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | N-(cyclohexylcarbamoyl)glycine |
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 | | NC4 | | Name: | 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID | | Formula: | C11 H20 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCCCC(=O)O | | InChi: | InChI=1S/C11H20N2O3/c14-10(15)7-4-8-12-11(16)13-9-5-2-1-3-6-9/h9H,1-8H2,(H,14,15)(H2,12,13,16) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(cyclohexylcarbamoyl)amino]butanoic acid |
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 | | NC6 | | Name: | 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID | | Formula: | C13 H24 N2 O3 | | SMILES: | O=C(NC1CCCCC1)NCCCCCC(=O)O | | InChi: | InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18) | | Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID | | Definition date: | 2005-04-21 | | Last modified: | 2021-03-01 | | Identifier: | 6-[(cyclohexylcarbamoyl)amino]hexanoic acid |
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 | | NDE | | Name: | ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT | | Formula: | C24 H32 N7 O20 P3 | | SMILES: | NC(=O)c1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C24H32N7O20P3/c25-20-14-22(28-7-27-20)31(8-29-14)24-19(37)17(35)13(50-24)6-48-54(44,45)51-53(42,43)47-5-12-16(34)18(36)23(49-12)30-2-1-9(10(3-30)21(26)38)15(33)11(32)4-46-52(39,40)41/h1-3,7-8,12-13,15-19,23-24,33-37H,4-6H2,(H7-,25,26,27,28,38,39,40,41,42,43,44,45)/t12-,13-,15?,16-,17-,18-,19-,23-,24-/m1/s1 | | Synonyms: | NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE) | | Definition date: | 2002-11-11 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(1R)-1-hydroxy-2-oxo-3-phosphonooxy-propyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | | 485 | | Name: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YL)- ACETIC ACID | | Formula: | C17 H24 N2 O8 | | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2OC(C(O)C(O)C2O)C | | InChi: | InChI=1S/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/m1/s1 | | Synonyms: | SB-284485 | | Definition date: | 2001-07-05 | | Last modified: | 2021-03-01 | | Identifier: | 3,7-anhydro-2,8-dideoxy-2-(L-tyrosylamino)-D-threo-L-galacto-octonic acid |
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 | | 48U | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide | | Formula: | C19 H19 Cl F N3 O4 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 | | InChi: | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 | | Synonyms: | GTC000101 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide |
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 | | NER | | Name: | (15E)-TETRACOS-15-ENOIC ACID | | Formula: | C24 H46 O2 | | SMILES: | O=C(O)CCCCCCCCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9- | | Synonyms: | CIS-15-TETRACOSENOIC ACID | | Definition date: | 2005-11-16 | | Last modified: | 2021-03-01 | | Identifier: | (15Z)-tetracos-15-enoic acid |
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 | | 0UT | | Name: | hydroxy(diphenyl)acetic acid | | Formula: | C14 H12 O3 | | SMILES: | O=C(O)C(O)(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | | Synonyms: | Benzillic acid | | Definition date: | 2012-06-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | hydroxy(diphenyl)acetic acid |
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 | | 0V4 | | Name: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside | | Formula: | C27 H44 O8 | | SMILES: | O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | | Synonyms: | 16-O-Me-Fusicoccin H | | Definition date: | 2012-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-08 | | Identifier: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside |
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 | | NG3 | | Name: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H17 N6 O12 P3 | | SMILES: | C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3 | | InChi: | InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 3'-amino-dGTP | | Definition date: | 2019-10-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) |
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 | | 0W3 | | Name: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid | | Formula: | C41 H72 O9 | | SMILES: | O=C(O)CCC(C)CC(C)CC(C(=O)CC(=O)C(C)CC(C)C/C=CC(C)C(O)C(C)C(O)CC2OC(C1OC(CC1)(C(O)C)C)(C)CC2)C | | InChi: | InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,25-33,36-37,39,42,45,48H,12,14-24H2,1-10H3,(H,46,47)/b13-11-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1 | | Synonyms: | Ionomycin | | Definition date: | 2012-07-17 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-20 | | Identifier: | (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid |
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 | | NGO | | Name: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE | | Formula: | C8 H14 N O5 | | SMILES: | O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C | | InChi: | InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1 | | Synonyms: | N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE | | Definition date: | 2000-08-25 | | Last modified: | 2021-03-01 | | Identifier: | (3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium |
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 | | 0WM | | Name: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide | | Formula: | C24 H25 Cl F N5 O3 | | SMILES: | Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C | | InChi: | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | | Synonyms: | Afatinib | | Definition date: | 2012-07-26 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
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 | | NGV | | Name: | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE | | Formula: | C21 H14 O7 | | SMILES: | O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4 | | InChi: | InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3 | | Synonyms: | NOGALAVIKETONE | | Definition date: | 2004-03-09 | | Last modified: | 2021-03-01 | | Identifier: | methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate |
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 | | NHC | | Name: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | | Formula: | C10 H14 O5 | | SMILES: | O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C | | InChi: | InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10- | | Synonyms: | Cantharidic acid | | Definition date: | 2009-05-07 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
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 | | 0XE | | Name: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | | Formula: | C21 H18 O11 | | SMILES: | O=C(O)C4OC(Oc3c(O)c(O)c2c(OC(c1ccccc1)=CC2=O)c3)C(O)C(O)C4O | | InChi: | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 | | Synonyms: | Baicalin | | Definition date: | 2012-09-14 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-23 | | Identifier: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid |
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 | | NHL | | Name: | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | | Formula: | C16 H17 N O4 | | SMILES: | O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1 | | Synonyms: | GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID | | Definition date: | 2007-01-18 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid |
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 | | 0XR | | Name: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | | Formula: | C11 H12 O4 | | SMILES: | O=C(OCC)C=Cc1cc(O)c(O)cc1 | | InChi: | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ | | Synonyms: | ethyl caffeate | | Definition date: | 2012-08-31 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-19 | | Identifier: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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