 | | MTK | | 表記: | MONTELUKAST | | 組成式: | C35 H36 Cl N O3 S | | SMILES: | CC(C)(O)c1ccccc1CC[CH](SCC2(CC2)CC(O)=O)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3 | | InChi: | InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1 | | 別名: | 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]
cyclopropyl]ethanoic acid | | 定義日: | 2006-10-26 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid |
|
 | | ADQ | | 表記: | ADENOSINE-5'-DIPHOSPHATE-GLUCOSE | | 組成式: | C16 H25 N5 O15 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O | | InChi: | InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 | | 別名: | ADENOSINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | | 定義日: | 2000-04-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
 | | ADV | | 表記: | ALPHA-BETA METHYLENE ADP-RIBOSE | | 組成式: | C16 H25 N5 O13 P2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)OCC4OC(O)C(O)C4O | | InChi: | InChI=1S/C16H25N5O13P2/c17-13-8-14(19-3-18-13)21(4-20-8)15-11(24)9(22)6(33-15)1-31-35(27,28)5-36(29,30)32-2-7-10(23)12(25)16(26)34-7/h3-4,6-7,9-12,15-16,22-26H,1-2,5H2,(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1 | | 別名: | AMPCPR | | 定義日: | 2001-12-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl methanediylbis[hydrogen (R,S)-phosphonate] (non-preferred name) |
|
 | | MUD | | 表記: | N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid | | 組成式: | C10 H16 N2 O7 S | | SMILES: | O=C(O)C(NC(=O)NC(C(=O)O)CCC(=O)O)CSC | | InChi: | InChI=1S/C10H16N2O7S/c1-20-4-6(9(17)18)12-10(19)11-5(8(15)16)2-3-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H2,11,12,19)/t5-,6-/m0/s1 | | 別名: | (S)-2-(3-((R)-1-carboxy-2-methylthio)ethyl)ureido)pentanedioic acid | | 定義日: | 2008-06-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid |
|
 | | MUL | | 表記: | TIAMULIN | | 組成式: | C28 H47 N O4 S | | SMILES: | O=C2CCC13C(C(O)C(C=C)(C)CC(OC(=O)CSCCN(CC)CC)C(C(CC1)C)(C)C23)C | | InChi: | InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1 | | 別名: | (4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL
{[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE | | 定義日: | 2004-09-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate |
|
 | | MUN | | 表記: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate | | 組成式: | C14 H26 O4 | | SMILES: | CCCCCCCCC=CC(=O)OC[CH](O)CO | | InChi: | InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1 | | 別名: | MONOUNDECENOIN | | 定義日: | 2017-11-14 | | 最終更新日: | 2020-06-17 | | 公開日: | 2017-12-13 | | 識別子（ID）: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate |
|
 | | 001 | | 表記: | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID
4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER | | 組成式: | C35 H42 F2 N2 O6 | | SMILES: | O=C(N3C(C(=O)OC(CCCc1ccccc1)CCCc2cccnc2)CCCC3)C(F)(F)c4cc(OC)c(OC)c(OC)c4 | | InChi: | InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1 | | 別名: | FKB-001 | | 定義日: | 2001-11-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S)-4-phenyl-1-(3-pyridin-3-ylpropyl)butyl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate |
|
 | | MV2 | | 表記: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide | | 組成式: | C9 H19 N O4 | | SMILES: | O=C(NCCCO)C(O)C(C)(C)CO | | InChi: | InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1 | | 別名: | L-Pantothenol | | 定義日: | 2011-03-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
|
 | | MVD | | 表記: | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3 | | 組成式: | C28 H46 O3 | | SMILES: | OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C | | InChi: | InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1 | | 別名: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E) | | 定義日: | 2006-06-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
|
 | | 00J | | 表記: | N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE | | 組成式: | C26 H27 N3 O5 | | SMILES: | O=C(NC)c4c5ccc(Oc3ccnc2cc(OCCN1CCOCC1)ccc23)cc5oc4C | | InChi: | InChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30) | | 別名: | PF-00337210 | | 定義日: | 2010-06-30 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N,2-dimethyl-6-{[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy}-1-benzofuran-3-carboxamide |
|
 | | 00N | | 表記: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra
zolo[1,2-a]pyridazine-1-carboxamide | | 組成式: | C24 H34 N8 O3 S | | SMILES: | O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4 | | InChi: | InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1 | | 別名: | MOL-127 | | 定義日: | 2010-10-28 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide |
|
 | | MVL | | 表記: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | 組成式: | C8 H12 N2 O4 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 | | 別名: | Mannoimidazole | | 定義日: | 2008-01-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
|
 | | 00Q | | 表記: | D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide | | 組成式: | C27 H35 N7 O3 S | | SMILES: | O=C(N1CCCC1C(=O)NC(CCCNC(=[N@H])N)C(O)c2nc3ccccc3s2)C(N)Cc4ccccc4 | | InChi: | InChI=1S/C27H35N7O3S/c28-18(16-17-8-2-1-3-9-17)26(37)34-15-7-12-21(34)24(36)32-20(11-6-14-31-27(29)30)23(35)25-33-19-10-4-5-13-22(19)38-25/h1-5,8-10,13,18,20-21,23,35H,6-7,11-12,14-16,28H2,(H,32,36)(H4,29,30,31)/t18-,20+,21+,23+/m1/s1 | | 別名: | RWJ-30353 | | 定義日: | 2010-10-28 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | D-phenylalanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-prolinamide |
|
 | | 016 | | 表記: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-
inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | 組成式: | C35 H41 N3 O6 S | | SMILES: | O=C(NC2c1ccccc1CC2O)C5N(C(=O)C(O)C(NC(=O)COc3c(cccc3C)C)Cc4ccccc4)CSC5(C)C | | InChi: | InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30+,32+/m0/s1 | | 別名: | KNI-10772 | | 定義日: | 2010-07-12 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
|
 | | 01E | | 表記: | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]-
1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide | | 組成式: | C31 H44 I N5 O6 | | SMILES: | O=C(n1cccc1)CC(C(=O)NC(C)C(O)C(=O)NCc2ccc(I)cc2)NC(=O)C(NC(=O)CC(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C31H44IN5O6/c1-19(25(40)28(42)33-18-20-10-12-21(32)13-11-20)34-27(41)22(16-24(39)37-14-8-9-15-37)35-29(43)26(31(5,6)7)36-23(38)17-30(2,3)4/h8-15,19,22,25-26,40H,16-18H2,1-7H3,(H,33,42)(H,34,41)(H,35,43)(H,36,38)/t19-,22-,25-,26+/m0/s1 | | 別名: | BILC 821 | | 定義日: | 2008-11-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S,3S)-3-{[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N,N-bis{1-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl-N-{(1S,2S)-1-hydroxy-1-[N-(4-iodobenzyl)amide]propan-2-yl}-L-alpha-asparaginyl]-1H-pyrrol-2-yl}-L-asparaginyl]amino}-2-hydroxy-N-(4-iodobenzyl)butanamide |
|
 | | 01T | | 表記: | [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid | | 組成式: | C22 H30 N2 O2 | | SMILES: | O=C(O)Cc1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)(C)C)CC | | InChi: | InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26) | | 別名: | TAK-100 | | 定義日: | 2010-08-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid |
|
 | | 022 | | 表記: | 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid | | 組成式: | C24 H22 N4 O3 | | SMILES: | O=C(O)CCc4ccc(c2ccc(n1ccnc1)cc2)n4c3c(cc(C(=O)N)cc3)C | | InChi: | InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30) | | 別名: | N6022 | | 定義日: | 2011-02-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acid |
|
 | | MX1 | | 表記: | (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO
XYLIC ACID | | 組成式: | C18 H18 N2 O10 | | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O | | InChi: | InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1 | | 別名: | MOXALACTAM (HYDROLYZED) | | 定義日: | 2005-09-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
|
 | | MXD | | 表記: | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE | | 組成式: | C9 H15 N5 O | | SMILES: | [O-][n+]1c(nc(cc1N)N2CCCCC2)N | | InChi: | InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12) | | 別名: | MINOXIDIL | | 定義日: | 2005-11-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide |
|
 | | MXM | | 表記: | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide | | 組成式: | C14 H13 N3 O4 S2 | | SMILES: | O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C | | InChi: | InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19) | | 別名: | Meloxicam | | 定義日: | 2013-08-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-01-22 | | 識別子（ID）: | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide |
|
 | | MXP | | 表記: | Myxopyronin B | | 組成式: | C23 H31 N O6 | | SMILES: | O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C | | InChi: | InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+ | | 別名: | methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate | | 定義日: | 2008-10-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate |
|
 | | 033 | | 表記: | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE | | 組成式: | C26 H24 N2 O6 S | | SMILES: | O=C(O)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c4oc3ccccc3c4)C(C)C | | InChi: | InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1 | | 別名: | WAY033 | | 定義日: | 2005-06-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]biphenyl-4-yl}sulfonyl)-L-valine |
|
 | | MYC | | 表記: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | 組成式: | C15 H10 O8 | | SMILES: | O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O | | InChi: | InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H | | 別名: | 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE | | 定義日: | 2000-10-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
|
 | | MYD | | 表記: | {[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID
MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER | | 組成式: | C23 H29 N5 O13 P2 | | SMILES: | O=C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1 | | 別名: | C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE | | 定義日: | 2002-12-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine |
|
 | | 03F | | 表記: | (9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide | | 組成式: | C42 H79 N O8 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 | | 別名: | N-(9Z-octadecenoyl)-1--glucosyl-sphing-4-enine | | 定義日: | 2011-08-21 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide |
|
