 | | XXT | | Name: | [(3aS,5R,5aS,6S,8S,8aS,9S,9aR)-9-acetyloxy-8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate | | Formula: | C19 H26 O7 | | SMILES: | C[CH]1C[CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)[CH](O)C[CH](OC(C)=O)[CH]13 | | InChi: | InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1 | | Synonyms: | Britannin | | Definition date: | 2016-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-28 | | Identifier: | [(3~{a}~{S},5~{R},5~{a}~{S},6~{S},8~{S},8~{a}~{S},9~{S},9~{a}~{R})-9-acetyloxy-5,8~{a}-dimethyl-1-methylidene-8-oxidanyl-2-oxidanylidene-4,5,5~{a},6,7,8,9,9~{a}-octahydro-3~{a}~{H}-azuleno[6,5-b]furan-6-yl] ethanoate |
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 | | WJP | | Name: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate | | Formula: | C26 H48 O7 P2 | | SMILES: | CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O | | InChi: | InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1 | | Synonyms: | dolichol-pp | | Definition date: | 2020-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2020-11-11 | | Identifier: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate |
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 | | XYA | | Name: | 2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H13 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1 | | Synonyms: | 9-BETA-D-XYLOFURANOSYL-ADENINE | | Definition date: | 2003-06-23 | | Last modified: | 2021-03-01 | | Identifier: | 9-beta-D-xylofuranosyl-9H-purin-6-amine |
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 | | XYB | | Name: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose | | Formula: | C10 H18 O9 | | SMILES: | O(C1COC(O)C(O)C1O)C2OCC(O)C(O)C2O | | InChi: | InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1 | | Synonyms: | xylobiose | | Definition date: | 2012-05-29 | | Last modified: | 2021-03-01 | | Release date: | 2016-08-31 | | Identifier: | 4-O-beta-D-xylopyranosyl-beta-D-xylopyranose |
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 | | WJZ | | Name: | TIOPRONIN | | Formula: | C5 H9 N O3 S | | SMILES: | C[CH](S)C(=O)NCC(O)=O | | InChi: | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1 | | Synonyms: | THIOLA | | Definition date: | 2015-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-07 | | Identifier: | 2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid |
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 | | YFF | | Name: | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid | | Formula: | C15 H19 F N4 O4 | | SMILES: | FCC(=[N@H])NCCCC(C(=O)N)NC(=O)c1ccccc1C(=O)O | | InChi: | InChI=1S/C15H19FN4O4/c16-8-12(17)19-7-3-6-11(13(18)21)20-14(22)9-4-1-2-5-10(9)15(23)24/h1-2,4-5,11H,3,6-8H2,(H2,17,19)(H2,18,21)(H,20,22)(H,23,24)/t11-/m0/s1 | | Synonyms: | o-F-amidine | | Definition date: | 2011-08-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid |
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 | | ZZ0 | | Name: | 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID | | Formula: | C12 H9 Cl N2 O2 | | SMILES: | Clc1ccc(cc1)Nc2ncccc2C(=O)O | | InChi: | InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17) | | Synonyms: | 2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID | | Definition date: | 2009-06-30 | | Last modified: | 2021-03-01 | | Identifier: | 2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid |
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 | | X1E | | Name: | (2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID | | Formula: | C8 H12 N2 O3 S | | SMILES: | O=C(O)C1N2C(=O)C(N)C2SC1(C)C | | InChi: | InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 | | Synonyms: | 6-AMINOPENICILLANIC ACID | | Definition date: | 2009-12-23 | | Last modified: | 2021-03-01 | | Identifier: | (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | JTB | | Name: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol | | Formula: | C8 H6 Cl N3 O | | SMILES: | Oc1ccc(Cl)cc1c2cn[nH]n2 | | InChi: | InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12) | | Synonyms: | MMG-0358 | | Definition date: | 2019-03-26 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-02 | | Identifier: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol |
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 | | XYM | | Name: | (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid | | Formula: | C5 H6 O5 S | | SMILES: | OC(=O)CSC=C(O)C(O)=O | | InChi: | InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1,6H,2H2,(H,7,8)(H,9,10)/b3-1- | | Synonyms: | (2Z)-2-hydroxy-3-(carboxymethylthio)propenoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2021-03-01 | | Identifier: | (Z)-3-(carboxymethylsulfanyl)-2-hydroxy-prop-2-enoic acid |
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 | | XYN | | Name: | 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid | | Formula: | C5 H6 O5 S | | SMILES: | OC(=O)CSCC(=O)C(O)=O | | InChi: | InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | | Synonyms: | 3-(carboxymethylthio)-2-oxopropanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2021-03-01 | | Identifier: | 3-(carboxymethylsulfanyl)-2-oxo-propanoic acid |
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 | | XYQ | | Name: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE | | Formula: | C17 H25 N5 O15 P2 | | SMILES: | O=C(OC1OC(C(O)C1O)COP(=O)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C | | InChi: | InChI=1S/C17H25N5O15P2/c1-6(23)34-17-13(27)11(25)8(36-17)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17+/m1/s1 | | Synonyms: | ACETYL-RIBOSYL-ADP | | Definition date: | 2006-07-13 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl acetate (non-preferred name) |
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 | | ZZ8 | | Name: | 2-(ACETYLAMINO)BENZOIC ACID | | Formula: | C9 H9 N O3 | | SMILES: | O=C(Nc1ccccc1C(=O)O)C | | InChi: | InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) | | Synonyms: | N-ACETYLANTHRANILATE | | Definition date: | 2009-05-22 | | Last modified: | 2021-03-01 | | Identifier: | 2-(acetylamino)benzoic acid |
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 | | 212 | | Name: | ALENDRONATE | | Formula: | C4 H13 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(CCCN)P(=O)(O)O | | InChi: | InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) | | Synonyms: | (4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTYL)PHOSPHONIC ACID | | Definition date: | 2006-01-11 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-09 | | Identifier: | (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid) |
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 | | 216 | | Name: | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | | Formula: | C25 H30 N2 O3 | | SMILES: | O=C1N(C(C(O)C(O)C(N1C/C=C)Cc2ccccc2)Cc3ccccc3)CC=C | | InChi: | InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1 | | Synonyms: | XK216 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-one |
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 | | ZIO | | Name: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE | | Formula: | C35 H61 N O12 | | SMILES: | O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C | | InChi: | InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1 | | Synonyms: | OLEANDOMYCIN | | Definition date: | 2006-07-13 | | Last modified: | 2021-03-01 | | Identifier: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
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 | | ZIP | | Name: | N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE | | Formula: | C10 H13 N5 | | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)C | | InChi: | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) | | Synonyms: | ISOPENTENYLADENINE | | Definition date: | 2004-06-23 | | Last modified: | 2021-03-01 | | Identifier: | N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine |
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 | | Z | | Name: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | | Formula: | C9 H13 N2 O7 P | | SMILES: | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 | | Synonyms: | 2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE | | Definition date: | 2002-09-09 | | Last modified: | 2021-03-01 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
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 | | XIF | | Name: | PIPERIDINE-3,4-DIOL | | Formula: | C5 H11 N O2 | | SMILES: | OC1CCNCC1O | | InChi: | InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1 | | Synonyms: | XYLOSE-DERIVED ISOFAGOMINE | | Definition date: | 2000-08-17 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-piperidine-3,4-diol |
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 | | 21N | | Name: | N-{[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazino]carbonothioyl}-beta-D-glucopyranosylamine | | Formula: | C15 H18 F3 N3 O5 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C15H18F3N3O5S/c16-15(17,18)8-3-1-7(2-4-8)5-19-21-14(27)20-13-12(25)11(24)10(23)9(6-22)26-13/h1-5,9-13,22-25H,6H2,(H2,20,21,27)/b19-5+/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | 4-trifluoromethylbenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone | | Definition date: | 2010-05-03 | | Last modified: | 2021-03-01 | | Identifier: | N-({(2E)-2-[4-(trifluoromethyl)benzylidene]hydrazinyl}carbothioyl)-beta-D-glucopyranosylamine |
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 | | XIY | | Name: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE | | Formula: | C8 H8 N2 O | | SMILES: | OCc2nc1ccccc1n2 | | InChi: | InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | | Synonyms: | 1H-BENZIMIDAZOL-2-YLMETHANOL | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | 1H-benzimidazol-2-ylmethanol |
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 | | XIZ | | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | | Formula: | C8 H7 N O2 | | SMILES: | O=C(O)C=Cc1ccncc1 | | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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 | | X2W | | Name: | N-ACETYL-L-GLUTAMYL 5-PHOSPHATE | | Formula: | C7 H12 N O8 P | | SMILES: | O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C | | InChi: | InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1 | | Synonyms: | N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE | | Definition date: | 2010-01-18 | | Last modified: | 2021-03-01 | | Identifier: | N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline |
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 | | 223 | | Name: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL | | Formula: | C12 H17 N5 O2 | | SMILES: | OCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1 | | Synonyms: | 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A | | Definition date: | 2006-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol |
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 | | WM2 | | Name: | cyclohexanecarboxamide | | Formula: | C7 H13 N O | | SMILES: | O=C(N)C1CCCCC1 | | InChi: | InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9) | | Synonyms: | Hexahydrobenzamide | | Definition date: | 2013-10-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-08-12 | | Identifier: | cyclohexanecarboxamide |
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