 | | MNN | | Name: | (S)-MANDELIC ACID NITRILE | | Formula: | C8 H7 N O | | SMILES: | N#CC(O)c1ccccc1 | | InChi: | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1 | | Synonyms: | (S)-HYDROXY(PHENYL)ACETONITRILE | | Definition date: | 2005-01-19 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-hydroxy(phenyl)ethanenitrile |
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 | | MNS | | Name: | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | | Formula: | C12 H14 N2 O2 S | | SMILES: | O=S(=O)(c1cccc2c1cccc2N(C)C)N | | InChi: | InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16) | | Synonyms: | DANSYLAMIDE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5-(dimethylamino)naphthalene-1-sulfonamide |
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 | | MNT | | Name: | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE | | Formula: | C18 H22 N6 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC | | InChi: | InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1 | | Synonyms: | MANT-ADP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate) |
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 | | CY9 | | Name: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate | | Formula: | C30 H37 N O6 | | SMILES: | O=C1NC(C3C12C(C=CCC(C(=O)C(O)(C=CC2OC(=O)C)C)C)C(O)/C(=C)C3C)Cc4ccccc4 | | InChi: | InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1 | | Synonyms: | Cytochalasin D | | Definition date: | 2008-09-25 | | Last modified: | 2021-03-01 | | Identifier: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate |
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 | | MOG | | Name: | 5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE | | Formula: | C6 H6 N4 O2 | | SMILES: | O=C2NC(=Nc1oc(nc12)C)N | | InChi: | InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11) | | Synonyms: | 8-METHYL-9-OXOGUANINE | | Definition date: | 2001-05-09 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one |
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 | | MOO | | Name: | MOLYBDATE ION | | Formula: | Mo O4 | | SMILES: | [O-][Mo]([O-])(=O)=O | | InChi: | InChI=1S/Mo.4O/q | | Synonyms: | MOLYBDATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | dioxido(dioxo)molybdenum |
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 | | CZE | | Name: | (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid | | Formula: | C21 H25 Cl N2 O3 | | SMILES: | OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl | | InChi: | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1 | | Synonyms: | (S)-dextrocetirizine | | Definition date: | 2015-09-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-23 | | Identifier: | (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid |
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 | | CZI | | Name: | (2R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(4-IODOBENZYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C26 H22 I N3 O4 | | SMILES: | Ic1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O | | InChi: | InChI=1S/C26H22IN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m1/s1 | | Synonyms: | I-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S,8R)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(4-iodobenzyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | MPH | | Name: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID | | Formula: | C4 H12 N O3 P S | | SMILES: | O=P(O)(O)C(N)CCSC | | InChi: | InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1 | | Synonyms: | METHIONINE PHOSPHONATE | | Definition date: | 1999-07-28 | | Last modified: | 2021-03-01 | | Identifier: | [(1R)-1-amino-3-(methylsulfanyl)propyl]phosphonic acid |
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 | | CZN | | Name: | (2S,8R)-8-BENZYL-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-2-(2-NAPHTHYLMETHYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE | | Formula: | C30 H25 N3 O4 | | SMILES: | O=C1N4C=C(NC(C4=NC1(OO)Cc3cc2ccccc2cc3)Cc5ccccc5)c6ccc(O)cc6 | | InChi: | InChI=1S/C30H25N3O4/c34-25-14-12-23(13-15-25)27-19-33-28(26(31-27)17-20-6-2-1-3-7-20)32-30(37-36,29(33)35)18-21-10-11-22-8-4-5-9-24(22)16-21/h1-16,19,26,31,34,36H,17-18H2/t26-,30-/m0/s1 | | Synonyms: | N-COELENETERAZINE | | Definition date: | 2003-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (2S,8S)-8-benzyl-2-hydroperoxy-6-(4-hydroxyphenyl)-2-(naphthalen-2-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one |
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 | | 8MM | | Name: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside | | Formula: | C21 H41 N5 O8 | | SMILES: | C1CC(OC(C1NC(C)=O)OC3C(C(OC2C(O)C(NC)C(C)(O)CO2)C(CC3N)N)O)CN | | InChi: | InChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1 | | Synonyms: | N2'-acetylgentamicin C1A | | Definition date: | 2017-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2017-03-15 | | Identifier: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside |
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 | | 8MX | | Name: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C21 H24 F N3 O3 | | SMILES: | Cc1c(c(cc2c1N(C=C(C2=O)C(O)=O)C3CC3)F)N4CC5C(C4)CCCN5 | | InChi: | InChI=1S/C21H24FN3O3/c1-11-18-14(20(26)15(21(27)28)9-25(18)13-4-5-13)7-16(22)19(11)24-8-12-3-2-6-23-17(12)10-24/h7,9,12-13,17,23H,2-6,8,10H2,1H3,(H,27,28)/t12-,17+/m0/s1 | | Synonyms: | 8-methyl-moxifloxacin | | Definition date: | 2015-06-04 | | Last modified: | 2021-03-01 | | Release date: | 2016-03-02 | | Identifier: | 1-cyclopropyl-6-fluoro-8-methyl-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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 | | MQA | | Name: | [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate | | Formula: | C16 H19 N3 O6 | | SMILES: | O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N | | InChi: | InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1 | | Synonyms: | Mitomycin A | | Definition date: | 2009-04-06 | | Last modified: | 2021-03-01 | | Identifier: | [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate |
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 | | 8N6 | | Name: | (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | | Formula: | C19 H20 N2 O3 S | | SMILES: | CCc1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1 | | InChi: | InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1 | | Synonyms: | Pioglitazone | | Definition date: | 2017-08-09 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-20 | | Identifier: | (5~{S})-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
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 | | 8NX | | Name: | 8-nitro-3,7-dihydro-1H-purine-2,6-dione | | Formula: | C5 H3 N5 O4 | | SMILES: | [O-][N+](=O)c1[nH]c2C(=O)NC(=O)Nc2n1 | | InChi: | InChI=1S/C5H3N5O4/c11-3-1-2(8-5(12)9-3)7-4(6-1)10(13)14/h(H3,6,7,8,9,11,12) | | Synonyms: | 8-nitro xanthine | | Definition date: | 2010-02-03 | | Last modified: | 2021-03-01 | | Identifier: | 8-nitro-3,7-dihydropurine-2,6-dione |
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 | | 8OX | | Name: | 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one | | Formula: | C10 H13 N5 O5 | | SMILES: | O=C2Nc1c(ncnc1N2C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H13N5O5/c11-7-4-8(13-2-12-7)15(10(19)14-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,14,19)(H2,11,12,13)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | 8-oxoadenosine | | Definition date: | 2010-05-19 | | Last modified: | 2021-03-01 | | Identifier: | 8-oxoadenosine |
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 | | WZC | | Name: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | | Formula: | C19 H27 N O5 S | | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-01 | | Identifier: | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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 | | 8PE | | Name: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate | | Formula: | C37 H74 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2008-04-28 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate |
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 | | 8PG | | Name: | (8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID | | Formula: | C20 H32 O4 | | SMILES: | O=C(O)CCCCCCC1C(=O)C=CC1/C=C/C(O)CCCCC | | InChi: | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1 | | Synonyms: | 8-ISO PROSTAGLANDIN A1 (8-ISO PGA1) | | Definition date: | 2006-02-27 | | Last modified: | 2021-03-01 | | Identifier: | (8beta,12alpha,13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic 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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 | | 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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 | | X3X | | Name: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | | Formula: | C6 H15 O8 P | | SMILES: | O=P(OCC(O)CO)(OCC(O)CO)O | | InChi: | InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1 | | Synonyms: | diglycerolphosphate | | Definition date: | 2013-10-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-13 | | Identifier: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
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 | | 8UX | | Name: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | | Formula: | C13 H20 N4 O6 | | SMILES: | C[CH](N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C13H20N4O6/c1-7(11(18)19)17-9(12(20)21)2-3-15-10(13(22)23)4-8-5-14-6-16-8/h5-7,9-10,15,17H,2-4H2,1H3,(H,14,16)(H,18,19)(H,20,21)(H,22,23)/t7-,9-,10+/m0/s1 | | Synonyms: | staphylopine | | Definition date: | 2017-09-28 | | Last modified: | 2021-03-01 | | Release date: | 2018-03-28 | | Identifier: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
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 | | X6K | | Name: | 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL | | Formula: | C19 H16 N4 O3 | | SMILES: | n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cccc(O)c5 | | InChi: | InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | | Synonyms: | PI-103 | | Definition date: | 2010-02-17 | | Last modified: | 2021-03-01 | | Identifier: | 3-(4-morpholin-4-ylpyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol |
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 | | 8X3 | | Name: | 2-hydroxyethylsulfonic acid | | Formula: | C2 H6 O4 S | | SMILES: | OCC[S](O)(=O)=O | | InChi: | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) | | Synonyms: | 2-oxidanylethanesulfonic acid | | Definition date: | 2017-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-13 | | Identifier: | 2-oxidanylethanesulfonic acid |
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