 | | MGH | | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | | Formula: | C20 H24 N4 O6 | | SMILES: | O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2 | | InChi: | InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1 | | Synonyms: | (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-03-24 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate |
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 | | MGI | | Name: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | | Formula: | C16 H16 O6 | | SMILES: | O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C | | InChi: | InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3 | | Synonyms: | methyl-gerfelin | | Definition date: | 2007-09-30 | | Last modified: | 2020-06-17 | | Identifier: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate |
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 | | MGM | | Name: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | | Formula: | C19 H37 N O7 P2 | | SMILES: | O=P(OP(=O)(OCCN(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O)(O)O | | InChi: | InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+ | | Synonyms: | 3-AZAGERANYLGERANYL DIPHOSPHATE | | Definition date: | 2002-11-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate |
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 | | 1SM | | Name: | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | Formula: | C15 H16 N4 O5 S | | SMILES: | O=C(Nc1nc(cc(n1)C)C)NS(=O)(=O)c2ccccc2C(=O)OC | | InChi: | InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21) | | Synonyms: | SULFOMETURON METHYL | | Definition date: | 2004-07-01 | | Last modified: | 2020-06-17 | | Identifier: | methyl 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate |
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 | | 1ST | | Name: | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[
B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE | | Formula: | C28 H24 N4 O4 | | SMILES: | O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C | | InChi: | InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1 | | Synonyms: | 3-HYDROXYSTAUROSPORINE | | Definition date: | 2006-08-07 | | Last modified: | 2020-06-17 | | Identifier: | (5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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 | | MGW | | Name: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | | Formula: | C19 H24 N4 O5 | | SMILES: | O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | | InChi: | InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1 | | Synonyms: | ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-04-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate |
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 | | 1TJ | | Name: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione | | Formula: | C19 H12 O5 | | SMILES: | O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C | | InChi: | InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3 | | Synonyms: | 11-DEOXY-6-OXYLANDOMYCINONE | | Definition date: | 2013-05-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-07-31 | | Identifier: | 1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione |
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 | | MHN | | Name: | 6-METHYLHEPTAN-1-OL | | Formula: | C8 H18 O | | SMILES: | OCCCCCC(C)C | | InChi: | InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 | | Synonyms: | METHYL HEPTANOL | | Definition date: | 2003-04-14 | | Last modified: | 2020-06-17 | | Identifier: | 6-methylheptan-1-ol |
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 | | MIR | | Name: | Monoethylphosphorylserine | | Formula: | C5 H12 N O6 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)O | | InChi: | InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | | Synonyms: | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine | | Definition date: | 2009-06-04 | | Last modified: | 2020-06-17 | | Identifier: | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine |
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 | | MIY | | Name: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-
CARBOXAMIDE | | Formula: | C23 H27 N3 O7 | | SMILES: | O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4 | | InChi: | InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 | | Synonyms: | MINOCYCLINE | | Definition date: | 2006-06-09 | | Last modified: | 2020-06-17 | | Identifier: | (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | | MJA | | Name: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid | | Formula: | C19 H30 O5 | | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C | | InChi: | InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1 | | Synonyms: | Monacolin J acid | | Definition date: | 2009-06-18 | | Last modified: | 2020-06-17 | | Identifier: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid |
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 | | MJI | | Name: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE | | Formula: | C22 H44 F3 O6 P | | SMILES: | FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1 | | Synonyms: | MJ33 INHIBITOR | | Definition date: | 2000-10-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate |
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 | | MJV | | Name: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide | | Formula: | C21 H22 Cl F N4 O2 | | SMILES: | c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl | | InChi: | InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | | Synonyms: | Halopemide | | Definition date: | 2019-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2020-02-19 | | Identifier: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide |
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 | | 1W3 | | Name: | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one | | Formula: | C20 H18 O4 | | SMILES: | O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C | | InChi: | InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+ | | Synonyms: | (E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one | | Definition date: | 2013-06-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | 7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one |
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 | | MK1 | | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY
BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | Formula: | C36 H47 N5 O4 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5 | | InChi: | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | | Synonyms: | INDINAVIR | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name) |
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 | | MK3 | | Name: | 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide | | Formula: | C20 H15 N5 O2 S | | SMILES: | Nc1nccc(Nc2ccc(O)c(c2)c3ccc4cc(sc4c3)C(=O)N=C)n1 | | InChi: | InChI=1S/C20H15N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H2,(H3,21,23,24,25) | | Synonyms: | 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide | | Definition date: | 2009-10-21 | | Last modified: | 2020-06-17 | | Identifier: | 6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methylidene-1-benzothiophene-2-carboxamide |
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 | | 1WU | | Name: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol | | Formula: | C14 H13 B F N O3 | | SMILES: | Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN | | InChi: | InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2 | | Synonyms: | 6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol | | Definition date: | 2013-07-12 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol |
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 | | MKT | | Name: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one | | Formula: | C23 H24 O6 | | SMILES: | CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C | | InChi: | InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3 | | Synonyms: | Gamma-mangostin | | Definition date: | 2015-03-02 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-09 | | Identifier: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
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 | | 1WZ | | Name: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid | | Formula: | C19 H21 N O3 | | SMILES: | O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C | | InChi: | InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+ | | Synonyms: | (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid | | Definition date: | 2013-07-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-02 | | Identifier: | 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid |
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 | | ML0 | | Name: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine | | Formula: | C27 H22 F4 N4 O3 | | SMILES: | Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F | | InChi: | InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1 | | Synonyms: | (S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid | | Definition date: | 2009-05-31 | | Last modified: | 2020-06-17 | | Identifier: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine |
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 | | ML1 | | Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | | Formula: | C13 H16 N2 O2 | | SMILES: | O=C(NCCc2c1cc(OC)ccc1nc2)C | | InChi: | InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) | | Synonyms: | Melatonin | | Definition date: | 2007-09-12 | | Last modified: | 2020-06-17 | | Identifier: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
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 | | 1X9 | | Name: | Cerulenin | | Formula: | C12 H17 N O3 | | SMILES: | O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N | | InChi: | InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1 | | Synonyms: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide | | Definition date: | 2013-08-27 | | Last modified: | 2020-06-17 | | Release date: | 2014-04-02 | | Identifier: | (2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide |
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 | | CRZ | | Name: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | | Formula: | C16 H15 N O2 | | SMILES: | O=C(O)CCCn3c1ccccc1c2c3cccc2 | | InChi: | InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19) | | Synonyms: | CARBAZOLE BUTANOIC ACID | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-(9H-carbazol-9-yl)butanoic acid |
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 | | CS4 | | Name: | S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE | | Formula: | C12 H13 Cl2 N O3 S | | SMILES: | Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl | | InChi: | InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1 | | Synonyms: | (R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID | | Definition date: | 2007-02-07 | | Last modified: | 2020-06-17 | | Identifier: | S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine |
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 | | 1XH | | Name: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione | | Formula: | C21 H28 O2 | | SMILES: | O=C1C=C(C(=O)C=C1)CC3(C(CCC2(C(=C)/CCCC23)C)C)C | | InChi: | InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1 | | Synonyms: | Arenarone | | Definition date: | 2014-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-02 | | Identifier: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione |
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