 | | JF2 | | 表記: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium | | 組成式: | C14 H26 N | | SMILES: | C=C(/C2CC1(C(CCC[NH+]1CC2)C)C)C | | InChi: | InChI=1S/C14H25N/c1-11(2)13-7-9-15-8-5-6-12(3)14(15,4)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13-,14+/m1/s1 | | 定義日: | 2013-05-24 | | 最終更新日: | 2013-08-09 | | 公開日: | 2013-08-14 | | 識別子（ID）: | (1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
|
 | | JF4 | | 表記: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium | | 組成式: | C14 H26 N | | SMILES: | C=C(/C2CCC1(CCCC(C)[NH+]1C2)C)C | | InChi: | InChI=1S/C14H25N/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14)10-13/h12-13H,1,5-10H2,2-4H3/p+1/t12-,13+,14-/m1/s1 | | 定義日: | 2013-05-24 | | 最終更新日: | 2013-08-09 | | 公開日: | 2013-08-14 | | 識別子（ID）: | (3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
|
 | | JLJ | | 表記: | 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile | | 組成式: | C17 H18 N4 O2 | | SMILES: | N#Cc1ccc(cc1OCC=C(/C)C)Nc2nc(OC)ccn2 | | InChi: | InChI=1S/C17H18N4O2/c1-12(2)7-9-23-15-10-14(5-4-13(15)11-18)20-17-19-8-6-16(21-17)22-3/h4-8,10H,9H2,1-3H3,(H,19,20,21) | | 定義日: | 2013-05-14 | | 最終更新日: | 2013-08-09 | | 公開日: | 2013-08-14 | | 識別子（ID）: | 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile |
|
 | | N0B | | 表記: | Adenylated Norbornene | | 組成式: | C25 H36 N7 O10 P | | SMILES: | O=C(OCC2CC1C=CC2C1)NCCCCC(N)C(=O)OP([O-])(=O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5O | | InChi: | InChI=1S/C25H36N7O10P/c26-16(3-1-2-6-28-25(36)39-9-15-8-13-4-5-14(15)7-13)24(35)42-43(37,38)40-10-17-19(33)20(34)23(41-17)32-12-31-18-21(27)29-11-30-22(18)32/h4-5,11-17,19-20,23,33-34H,1-3,6-10,26H2,(H,28,36)(H,37,38)(H2,27,29,30)/p-1/t13-,14+,15+,16+,17-,19-,20+,23+/m0/s1 | | 定義日: | 2013-07-01 | | 最終更新日: | 2013-07-26 | | 公開日: | 2013-07-31 | | 識別子（ID）: | 9-[5-O-({[(2R)-2-amino-6-({[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethoxy]carbonyl}amino)hexanoyl]oxy}phosphinato)-alpha-L-arabinofuranosyl]-9H-purin-6-amine |
|
 | | A9S | | 表記: | (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | | 組成式: | C15 H20 O4 | | SMILES: | O=C(O)C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C | | InChi: | InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m0/s1 | | 定義日: | 2013-02-27 | | 最終更新日: | 2013-07-19 | | 公開日: | 2013-07-24 | | 識別子（ID）: | (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
|
 | | 1PW | | 表記: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | | 組成式: | C20 H40 N O6 P | | SMILES: | O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)C | | InChi: | InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1 | | 定義日: | 2013-04-23 | | 最終更新日: | 2013-07-12 | | 公開日: | 2013-07-17 | | 識別子（ID）: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate |
|
 | | 1PX | | 表記: | (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | | 組成式: | C34 H68 N O6 P | | SMILES: | O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C34H68NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(36)32(31-41-42(38,39)40)35-34(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36H,3-26,28,30-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b29-27+/t32-,33+/m0/s1 | | 定義日: | 2013-04-23 | | 最終更新日: | 2013-07-12 | | 公開日: | 2013-07-17 | | 識別子（ID）: | (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate |
|
 | | 1PZ | | 表記: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | | 組成式: | C30 H60 N O6 P | | SMILES: | O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCC | | InChi: | InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1 | | 定義日: | 2013-04-23 | | 最終更新日: | 2013-07-12 | | 公開日: | 2013-07-17 | | 識別子（ID）: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate |
|
 | | 1Q0 | | 表記: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate | | 組成式: | C36 H70 N O6 P | | SMILES: | O=C(NC(COP(=O)(O)O)C(O)C=C/CCCCCCCCCCCCC)CCCCCCC/C=C/CCCCCCCC | | InChi: | InChI=1S/C36H70NO6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(39)37-34(33-43-44(40,41)42)35(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,34-35,38H,3-16,19-28,30,32-33H2,1-2H3,(H,37,39)(H2,40,41,42)/b18-17?,31-29-/t34-,35+/m0/s1 | | 定義日: | 2013-04-23 | | 最終更新日: | 2013-07-12 | | 公開日: | 2013-07-17 | | 識別子（ID）: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate |
|
 | | 1T9 | | 表記: | (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate | | 組成式: | C26 H52 N O6 P | | SMILES: | O=C(NC(COP(=O)(O)O)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC | | InChi: | InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1 | | 定義日: | 2013-05-28 | | 最終更新日: | 2013-07-12 | | 公開日: | 2013-07-17 | | 識別子（ID）: | (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate |
|
 | | 0UF | | 表記: | 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid | | 組成式: | C26 H33 N3 O6 S2 | | SMILES: | O=S(=O)(O)CCCN1c3ccccc3O/C1=CC=CC=C2C(=O)N(C(=S)N(C2=O)CCCC)CCCC | | InChi: | InChI=1S/C26H33N3O6S2/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34) | | 定義日: | 2012-06-15 | | 最終更新日: | 2013-06-28 | | 公開日: | 2013-07-03 | | 識別子（ID）: | 3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acid |
|
 | | YI4 | | 表記: | (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol | | 組成式: | C31 H50 O4 | | SMILES: | OC3C(=CCO)C(O)CC(=CC=C1/C(C/C=C)CCC2(C)C(C(C)CCCC(O)(C)C)CCC12)C3 | | InChi: | InChI=1S/C31H50O4/c1-6-8-23-14-17-31(5)26(21(2)9-7-16-30(3,4)35)12-13-27(31)24(23)11-10-22-19-28(33)25(15-18-32)29(34)20-22/h6,10-11,15,21,23,26-29,32-35H,1,7-9,12-14,16-20H2,2-5H3/b22-10-,24-11+,25-15+/t21-,23-,26-,27+,28-,29-,31-/m1/s1 | | 定義日: | 2012-06-06 | | 最終更新日: | 2013-05-17 | | 公開日: | 2013-05-22 | | 識別子（ID）: | (1R,2Z,3R,5E,7E,9beta,17beta)-2-(2-hydroxyethylidene)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9-(prop-2-en-1-yl)-9,10-secoestra-5,7-diene-1,3-diol |
|
 | | 1M0 | | 表記: | 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole | | 組成式: | C38 H32 N4 O | | SMILES: | n2c1ccccc1n(c2c6ccc(OCC(n4c5ccccc5nc4c3ccccc3)CC=C)cc6)Cc7ccccc7 | | InChi: | InChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2/t31-/m1/s1 | | 定義日: | 2013-03-26 | | 最終更新日: | 2013-05-17 | | 公開日: | 2013-05-22 | | 識別子（ID）: | 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole |
|
 | | 1L5 | | 表記: | [(1E)-1-nitroprop-1-en-2-yl]benzene | | 組成式: | C9 H9 N O2 | | SMILES: | O=N(=O)/C=C(/c1ccccc1)C | | InChi: | InChI=1S/C9H9NO2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+ | | 定義日: | 2013-03-13 | | 最終更新日: | 2013-05-03 | | 公開日: | 2013-05-08 | | 識別子（ID）: | [(1E)-1-nitroprop-1-en-2-yl]benzene |
|
 | | WPI | | 表記: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane | | 組成式: | C33 H48 N2 O6 | | SMILES: | O(c1cc(cc(OC)c1OC)C=C/CCCN3CCCN(CCCC=Cc2cc(OC)c(OC)c(OC)c2)CC3)C | | InChi: | InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+ | | 定義日: | 2012-05-02 | | 最終更新日: | 2013-04-26 | | 公開日: | 2013-05-01 | | 識別子（ID）: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane |
|
 | | C9M | | 表記: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol | | 組成式: | C11 H14 O3 | | SMILES: | Oc1ccc(cc1OC)/C=C/COC | | InChi: | InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+ | | 定義日: | 2012-05-02 | | 最終更新日: | 2013-04-26 | | 公開日: | 2013-05-01 | | 識別子（ID）: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol |
|
 | | EIS | | 表記: | N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide | | 組成式: | C36 H69 N O11 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1 | | 定義日: | 2012-09-13 | | 最終更新日: | 2013-04-05 | | 公開日: | 2013-04-10 | | 識別子（ID）: | N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide |
|
 | | 1GT | | 表記: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol | | 組成式: | C18 H15 F3 N2 O2 | | SMILES: | FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)CCC=C | | InChi: | InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17-13(5-4-6-14(17)18(19,20)21)16(22-23)12-8-7-11(24)10-15(12)25/h2,4-8,10,24-25H,1,3,9H2 | | 定義日: | 2013-01-28 | | 最終更新日: | 2013-03-22 | | 公開日: | 2013-03-27 | | 識別子（ID）: | 4-[1-(but-3-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol |
|
 | | 1GU | | 表記: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol | | 組成式: | C18 H15 F3 N2 O2 | | SMILES: | FC(F)(F)c2cccc3c(c1ccc(O)cc1O)n(nc23)CCC=C | | InChi: | InChI=1S/C18H15F3N2O2/c1-2-3-9-23-17(12-8-7-11(24)10-15(12)25)13-5-4-6-14(16(13)22-23)18(19,20)21/h2,4-8,10,24-25H,1,3,9H2 | | 定義日: | 2013-01-28 | | 最終更新日: | 2013-03-22 | | 公開日: | 2013-03-27 | | 識別子（ID）: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol |
|
 | | BH1 | | 表記: | BACTERIOPHEOPHYTIN | | 組成式: | C55 H78 N4 O6 | | SMILES: | O=C(OC)C3C(=O)c2c(c1C=C6NC(=Cc5nc(C=C4NC(=C3c2n1)C(C4C)CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)c(c5C(=O)C)C)C(C)C6CC)C | | InChi: | InChI=1S/C55H78N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,56-59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,45-28-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1 | | 定義日: | 2004-12-07 | | 最終更新日: | 2013-03-18 | | 識別子（ID）: | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14,24,26-tetrahydrophorbine-21-carboxylate |
|
 | | PWZ | | 表記: | (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid | | 組成式: | C21 H34 O4 | | SMILES: | O=C(O)CCC/C=C/CC2C1OCC(C1)C2/C=C/C(O)CCCCC | | InChi: | InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17+,18+,19-,20-/m1/s1 | | 定義日: | 2013-01-09 | | 最終更新日: | 2013-03-15 | | 公開日: | 2013-03-20 | | 識別子（ID）: | (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid |
|
 | | PHO | | 表記: | PHEOPHYTIN A | | 組成式: | C55 H74 N4 O5 | | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(=C5C)CC)C)C6C | | InChi: | InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2013-03-11 | | 識別子（ID）: | methyl (3S,4S,21R)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)phorbine-21-carboxylate |
|
 | | BPH | | 表記: | BACTERIOPHEOPHYTIN A | | 組成式: | C55 H76 N4 O6 | | SMILES: | O=C(OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C | | InChi: | InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1 | | 定義日: | 2004-12-07 | | 最終更新日: | 2013-03-11 | | 識別子（ID）: | methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate |
|
 | | SK7 | | 表記: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | | 組成式: | C10 H14 N2 O4 | | SMILES: | O=C1C(=C(C=C(/CO)CO)N(C(=O)N1)C)C | | InChi: | InChI=1S/C10H14N2O4/c1-6-8(3-7(4-13)5-14)12(2)10(16)11-9(6)15/h3,13-14H,4-5H2,1-2H3,(H,11,15,16) | | 定義日: | 2013-02-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
|
 | | FSK | | 表記: | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | | 組成式: | C10 H13 F N2 O3 | | SMILES: | O=C1C(=C(C=C(/CF)CO)N(C(=O)N1)C)C | | InChi: | InChI=1S/C10H13FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h3,14H,4-5H2,1-2H3,(H,12,15,16)/b7-3+ | | 定義日: | 2013-02-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
|
