 | | ZDM | | Name: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1 | | Synonyms: | nonyl-beta-D-maltoside | | Definition date: | 2011-03-03 | | Last modified: | 2020-06-17 | | Identifier: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
|
 | | QCP | | Name: | AR-42 | | Formula: | C18 H20 N2 O3 | | SMILES: | C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C | | InChi: | InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1 | | Synonyms: | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide | | Definition date: | 2019-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-04 | | Identifier: | N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide |
|
 | | PXB | | Name: | parecoxib | | Formula: | C19 H18 N2 O4 S | | SMILES: | O=C(NS(=O)(=O)c3ccc(c2c(onc2c1ccccc1)C)cc3)CC | | InChi: | InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) | | Synonyms: | N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide | | Definition date: | 2008-06-17 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide |
|
 | | PXD | | Name: | 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide | | Formula: | C16 H14 F5 N5 O5 S | | SMILES: | FC(F)(F)c1cccc(OCC(F)F)c1S(=O)(=O)Nc2nc3c(OC)cnc(OC)n3n2 | | InChi: | InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25) | | Synonyms: | Penoxsulam | | Definition date: | 2014-06-05 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-14 | | Identifier: | 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide |
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 | | YSH | | Name: | 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID | | Formula: | C16 H17 N3 O3 | | SMILES: | N#Cc1c(OCC(C)(C)C)ccc(c1)n2ncc(c2)C(=O)O | | InChi: | InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21) | | Synonyms: | Y-700 | | Definition date: | 2004-04-05 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid |
|
 | | T5X | | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia
zol-3-ium-2-yl}-5-O-phosphono-D-xylitol | | Formula: | C17 H30 N4 O15 P3 S | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C17H29N4O15P3S/c1-9-13(3-4-34-39(32,33)36-38(29,30)31)40-16(21(9)6-11-5-19-10(2)20-15(11)18)17(25,8-22)14(24)12(23)7-35-37(26,27)28/h5,12,14,22-25H,3-4,6-8H2,1-2H3,(H6-,18,19,20,26,27,28,29,30,31,32,33)/p+1/t12-,14+,17+/m1/s1 | | Synonyms: | D-XYLULOSE-5-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | | Definition date: | 2007-10-25 | | Last modified: | 2020-06-17 | | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-5-O-phosphono-D-xylitol |
|
 | | PXE | | Name: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione 1-oxime | | Formula: | C10 H13 N O2 | | SMILES: | O=C1C=C(C(=NO)C=C1C(C)C)C | | InChi: | InChI=1S/C10H13NO2/c1-6(2)8-5-9(11-13)7(3)4-10(8)12/h4-6,13H,1-3H3/b11-9+ | | Synonyms: | (E)-4-(hydroxyimino)-2-isopropyl-5-methylcyclohexa-2,5-dienone | | Definition date: | 2010-04-12 | | Last modified: | 2020-06-17 | | Identifier: | (4E)-4-(hydroxyimino)-5-methyl-2-(propan-2-yl)cyclohexa-2,5-dien-1-one |
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 | | URB | | Name: | 5-bromopyrimidine-2,4(1H,3H)-dione | | Formula: | C4 H3 Br N2 O2 | | SMILES: | BrC1=CNC(=O)NC1=O | | InChi: | InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) | | Synonyms: | 5-bromouracil | | Definition date: | 2008-04-25 | | Last modified: | 2020-06-17 | | Identifier: | 5-bromopyrimidine-2,4(1H,3H)-dione |
|
 | | TZD | | Name: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN
DIPHOSPHATE | | Formula: | C12 H18 N4 O8 P2 S | | SMILES: | O=C1SC(=C(N1Cc2c(nc(nc2)C)N)C)CCOP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20) | | Synonyms: | THIAMIN THIAZOLONE DIPHOSPHATE | | Definition date: | 2003-12-17 | | Last modified: | 2020-06-17 | | Identifier: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate |
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 | | QCT | | Name: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | | Formula: | C21 H20 O11 | | SMILES: | O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4 | | InChi: | InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1 | | Synonyms: | quercitrin | | Definition date: | 2012-08-31 | | Last modified: | 2020-06-17 | | Release date: | 2013-01-25 | | Identifier: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside |
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 | | TZE | | Name: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL | | Formula: | C6 H9 N O S | | SMILES: | OCCc1scnc1C | | InChi: | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 | | Synonyms: | 4-METHYL-5-HYDROXYETHYLTHIAZOLE | | Definition date: | 1999-07-30 | | Last modified: | 2020-06-17 | | Identifier: | 2-(4-methyl-1,3-thiazol-5-yl)ethanol |
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 | | SRL | | Name: | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | | Formula: | C24 H42 O7 P2 | | SMILES: | O=P(OCC)(OCC)/C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC | | InChi: | InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 | | Synonyms: | SR12813 | | Definition date: | 2001-05-22 | | Last modified: | 2020-06-17 | | Identifier: | tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate) |
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 | | PIZ | | Name: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane
-1,2-diyl dihexadecanoate | | Formula: | C41 H82 O22 P4 | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41-/m0/s1 | | Synonyms: | PI(3,4,5)P3 dipalmitoyl (16:0, 16:0) | | Definition date: | 2014-06-11 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-30 | | Identifier: | (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate |
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 | | T64 | | Name: | (6-4)photoproduct | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | | Definition date: | 2011-07-26 | | Last modified: | 2020-06-17 | | Release date: | 2015-12-02 | | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
|
 | | PXM | | Name: | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL | | Formula: | C8 H12 N2 O2 | | SMILES: | Oc1c(c(cnc1C)CO)CN | | InChi: | InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 | | Synonyms: | PYRIDOXAMINE | | Definition date: | 2003-11-13 | | Last modified: | 2020-06-17 | | Identifier: | 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol |
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 | | TL2 | | Name: | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}-5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17+,18+/m0/s1 | | Synonyms: | 2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-5-O-(3-carbamimidoylphenyl)-2-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | PXN | | Name: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol | | Formula: | C17 H36 O8 | | SMILES: | O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C | | InChi: | InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1 | | Synonyms: | PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH) | | Definition date: | 2010-04-21 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol |
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 | | ZED | | Name: | L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S | | Formula: | C15 H19 N O3 S2 | | SMILES: | O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C)CS | | InChi: | InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1 | | Synonyms: | ZOFENOPRILAT | | Definition date: | 2005-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-L-proline |
|
 | | URM | | Name: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic
(((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric)
anhydride | | Formula: | C16 H26 N2 O16 P2 | | SMILES: | OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C16H26N2O16P2/c19-3-6-10(21)13(24)12(23)8(32-6)5-35(27,28)34-36(29,30)31-4-7-11(22)14(25)15(33-7)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10+,11-,12+,13+,14-,15-/m1/s1 | | Synonyms: | Uridine diphospho methylene galactopyranose | | Definition date: | 2010-04-14 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]phosphinic acid |
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 | | TL3 | | Name: | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2ccc(C(=[N@H])N)cc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-1-5-13(6-2-11)27-15-9-25-18-16(10-26-17(15)18)28-14-7-3-12(4-8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2,5-bis-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | TZN | | Name: | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | | Formula: | C19 H25 N5 O4 | | SMILES: | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4OCCC4 | | InChi: | InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1 | | Synonyms: | Terazosin | | Definition date: | 2014-01-10 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-29 | | Identifier: | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone |
|
 | | URN | | Name: | 5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C4 H6 N4 O2 | | SMILES: | O=C1NC(N)=C(N)C(=O)N1 | | InChi: | InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10) | | Synonyms: | 5,6-DIAMINOURACIL | | Definition date: | 2004-11-02 | | Last modified: | 2020-06-17 | | Identifier: | 5,6-diaminopyrimidine-2,4(1H,3H)-dione |
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 | | TL4 | | Name: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | | Formula: | C20 H22 N4 O4 | | SMILES: | O(c1ccc(C(=[N@H])N)cc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3 | | InChi: | InChI=1S/C20H22N4O4/c21-19(22)11-4-6-13(7-5-11)27-15-9-25-18-16(10-26-17(15)18)28-14-3-1-2-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1 | | Synonyms: | 2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL | | Definition date: | 2004-12-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,4:3,6-dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol |
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 | | YSV | | Name: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-
methylenecyclohexane-1,3-diol | | Formula: | C27 H44 O3 | | SMILES: | OC(C)(C)CCCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1 | | Synonyms: | 2-methylidene-19-nor-1alpha,25-dihydroxyvitamin D3 | | Definition date: | 2016-03-30 | | Last modified: | 2020-06-17 | | Release date: | 2016-12-07 | | Identifier: | (1R,3R,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
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 | | SRY | | Name: | STREPTOMYCIN | | Formula: | C21 H39 N7 O12 | | SMILES: | O=CC3(O)C(OC1OC(C(O)C(O)C1NC)CO)C(OC2C(NC(=[N@H])N)C(O)C(NC(=[N@H])N)C(O)C2O)OC3C | | InChi: | InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1 | | Synonyms: | STREPTOMYCIN A | | Definition date: | 2000-08-25 | | Last modified: | 2020-06-17 | | Identifier: | N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine |
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