 | | 0KZ | | 表記: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen
phosphate | | 組成式: | C12 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC32C(C(N1C=C(C(=O)NC1=O)C)CC2O)C3 | | InChi: | InChI=1S/C12H17N2O7P/c1-6-4-14(11(17)13-10(6)16)8-2-9(15)12(3-7(8)12)5-21-22(18,19)20/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)(H2,18,19,20)/t7-,8+,9+,12+/m1/s1 | | 別名: | 2'-exo-methanocarba-thymidine monophosphate | | 定義日: | 2012-02-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate |
|
 | | 0LA | | 表記: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid | | 組成式: | C15 H12 Cl N O2 | | SMILES: | O=C(O)C(c3ccc2c1cc(Cl)ccc1nc2c3)C | | InChi: | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1 | | 別名: | (S)-carprofen | | 定義日: | 2012-02-13 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-01-18 | | 識別子（ID）: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid |
|
 | | 0LI | | 表記: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam
ide | | 組成式: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN2CCN(C)CC2)NC(=O)c5cc(C#Cc3cnc4cccnn34)c(cc5)C | | InChi: | InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | | 別名: | Ponatinib | | 定義日: | 2009-08-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide |
|
 | | 0LY | | 表記: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | 組成式: | C17 H24 Br N3 O2 | | SMILES: | Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C | | InChi: | InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) | | 別名: | NBD-557 | | 定義日: | 2012-02-27 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-02-22 | | 識別子（ID）: | N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide |
|
 | | 0MO | | 表記: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one | | 組成式: | C15 H22 N2 O3 | | SMILES: | O=C1NCC(N1)Cc2cc(OCCCC)c(OC)cc2 | | InChi: | InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1 | | 別名: | 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone | | 定義日: | 2009-07-13 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one |
|
 | | 0O8 | | 表記: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate | | 組成式: | C25 H53 N O4 P | | SMILES: | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 | | 別名: | PERIFOSINE | | 定義日: | 2012-03-29 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-10-26 | | 識別子（ID）: | 4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium |
|
 | | E7Y | | 表記: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide | | 組成式: | C22 H37 N O2 | | SMILES: | C(=O)(NCCO)CCC[C@H]=CCC=C/C[C@H]=CC[C@H]=CCCCCC | | InChi: | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | | 別名: | N-arachidonoylethanolamine | | 定義日: | 2017-12-07 | | 最終更新日: | 2020-06-17 | | 公開日: | 2018-12-12 | | 識別子（ID）: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide |
|
 | | 0OA | | 表記: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen
(S)-phosphate | | 組成式: | C35 H69 O10 P | | SMILES: | O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1 | | 別名: | phosphatidylinositol ether lipid analogue 24 (PIA24) | | 定義日: | 2012-03-30 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-10-26 | | 識別子（ID）: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate |
|
 | | 0P1 | | 表記: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl
}-L-alaninamide | | 組成式: | C29 H40 N3 O9 P | | SMILES: | O=C(OC)C(OP(=O)(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)C)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C29H40N3O9P/c1-19(2)16-25(42(37,38)41-24(28(35)39-5)17-22-12-8-6-9-13-22)32-27(34)20(3)30-26(33)21(4)31-29(36)40-18-23-14-10-7-11-15-23/h6-15,19-21,24-25H,16-18H2,1-5H3,(H,30,33)(H,31,36)(H,32,34)(H,37,38)/t20-,21-,24-,25+/m0/s1 | | 別名: | Cbz-Ala-Ala-Leu(P)-(O)-Phe-OMe | | 定義日: | 2008-10-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-alaninamide |
|
 | | 0PI | | 表記: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine | | 組成式: | C21 H33 N2 O8 P | | SMILES: | O=C(O)C(NC(=O)C(OP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C)CC(C)C | | InChi: | InChI=1S/C21H33N2O8P/c1-14(2)10-17(20(25)26)23-19(24)18(11-15(3)4)31-32(28,29)13-22-21(27)30-12-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t17-,18-/m0/s1 | | 別名: | ZGP(O)LL | | 定義日: | 2008-09-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine |
|
 | | 0PX | | 表記: | N~1~-{(1S,2S,4S)-1-(cyclohexylmethyl)-4-[(2,2-dimethylpropyl)carbamoyl]-2-hydroxy-5-methylhexyl}-N~2~-(quinolin-2-ylcar
bonyl)-L-aspartamide | | 組成式: | C34 H51 N5 O5 | | SMILES: | O=C(NCC(C)(C)C)C(C(C)C)CC(O)C(NC(=O)C(NC(=O)c1nc2ccccc2cc1)CC(=O)N)CC3CCCCC3 | | InChi: | InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)/t24-,27-,28-,29-/m0/s1 | | 別名: | U92163 | | 定義日: | 2008-09-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N~1~-{(2S,3S,5S)-1-cyclohexyl-5-[(2,2-dimethylpropyl)carbamoyl]-3-hydroxy-6-methylheptan-2-yl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide |
|
 | | 0QF | | 表記: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp
holin-4-ylsulfonyl)-L-phenylalaninamide | | 組成式: | C31 H52 N4 O7 S2 | | SMILES: | O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3 | | InChi: | InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1 | | 別名: | PD-133,450 | | 定義日: | 2010-02-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide |
|
 | | 0R0 | | 表記: | 2-hydroxybenzonitrile | | 組成式: | C7 H5 N O | | SMILES: | N#Cc1ccccc1O | | InChi: | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | | 別名: | 2-Cyanophenol | | 定義日: | 2012-04-21 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-08-31 | | 識別子（ID）: | 2-hydroxybenzonitrile |
|
 | | 0RN | | 表記: | SULBACTAM | | 組成式: | C8 H11 N O5 S | | SMILES: | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C | | InChi: | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | | 別名: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | | 定義日: | 2012-06-11 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-09-21 | | 識別子（ID）: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
|
 | | 0RP | | 表記: | ethyl
(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H
)-carboxylate | | 組成式: | C26 H25 F9 N2 O4 | | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN(C(=O)OC)C3c2c(ccc(c2)C(F)(F)F)N(C(=O)OCC)C(C3)CC | | InChi: | InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 | | 別名: | Torcetrapib | | 定義日: | 2012-05-03 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-08-31 | | 識別子（ID）: | ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
|
 | | 0RV | | 表記: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro
le-5-carboxylic acid | | 組成式: | C17 H25 N3 O6 S | | SMILES: | O=C(O)C(C(O)C)C2N=C(C(SC1CC(C(=O)N(C)C)NC1)=C2C)C(=O)O | | InChi: | InChI=1S/C17H25N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h8-12,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,11-,12-/m1/s1 | | 別名: | Meropenem, hydroxylated form | | 定義日: | 2012-05-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrrole-5-carboxylic acid |
|
 | | EB1 | | 表記: | SEOCALCITOL | | 組成式: | C30 H46 O3 | | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C=CC=CC(O)(CC)CC)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1 | | 別名: | 5-{2-[1-(6-ETHYL-6-HYDROXY-1-METHYL-OCTA-2,4-DIENYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLO
HEXANE-1,3-DIOL | | 定義日: | 2004-01-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methylocta-2,4-dien-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
|
 | | EBI | | 表記: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli
namide | | 組成式: | C23 H24 F N9 O | | SMILES: | Fc1ncc(cc1)NC(=O)C6(N(c3nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5)CCC6)C | | InChi: | InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1 | | 別名: | BMS-754807 | | 定義日: | 2009-07-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-prolinamide |
|
 | | 0SM | | 表記: | TRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUM | | 組成式: | C27 H58 N2 O6 P | | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C)(OCC[N+](C)(C)C)O | | InChi: | InChI=1S/C27H57N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)28-26(25(2)30)24-35-36(32,33)34-23-22-29(3,4)5/h25-26,30H,6-24H2,1-5H3,(H-,28,31,32,33)/p+1/t25-,26-/m0/s1 | | 別名: | N-OCTADECANOYL-D-ERYTHRO-SPHINGOSYLPHOSPHORYLCHOLINE | | 定義日: | 2011-08-10 | | 最終更新日: | 2020-06-17 | | 公開日: | 2012-09-14 | | 識別子（ID）: | (4S,7S)-4-hydroxy-7-[(1S)-1-hydroxyethyl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphahexacosan-1-aminium 4-oxide |
|
 | | EBT | | 表記: | N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine | | 組成式: | C16 H24 N2 O4 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C | | InChi: | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14-/m1/s1 | | 別名: | Epibestatin | | 定義日: | 2010-03-30 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
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 | | 0T1 | | 表記: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate | | 組成式: | C22 H38 N7 O16 P3 | | SMILES: | O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1 | | 別名: | DETHIACOENZYME A | | 定義日: | 2012-05-29 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-05-22 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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 | | ECE | | 表記: | Caprolactone | | 組成式: | C6 H10 O2 | | SMILES: | O=C1OCCCCC1 | | InChi: | InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 | | 別名: | Oxepan-2-one | | 定義日: | 2014-10-06 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-15 | | 識別子（ID）: | oxepan-2-one |
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 | | ECG | | 表記: | 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER | | 組成式: | C10 H17 N O3 | | SMILES: | O=C(OC)C2C1N(C)C(CC1)CC2O | | InChi: | InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1 | | 別名: | ECGONINE METHYL ESTER | | 定義日: | 2005-08-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
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 | | ECH | | 表記: | beta,beta-caroten-4-one | | 組成式: | C40 H54 O | | SMILES: | O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)CC2)C | | InChi: | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ | | 別名: | echinenone | | 定義日: | 2010-04-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | beta,beta-caroten-4-one |
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 | | ECN | | 表記: | 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE | | 組成式: | C18 H15 Cl3 N2 O | | SMILES: | Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3 | | InChi: | InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1 | | 別名: | S-Econazole | | 定義日: | 2007-03-12 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole |
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