 | | QL4 | | 表記: | (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid | | 組成式: | C19 H23 N2 O8 P | | SMILES: | N(=C/c1c(c(ncc1COP(O)(O)=O)C)O)C(COc2ccccc2)CCC(=O)O | | InChi: | InChI=1S/C19H23N2O8P/c1-13-19(24)17(14(9-20-13)11-29-30(25,26)27)10-21-15(7-8-18(22)23)12-28-16-5-3-2-4-6-16/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,22,23)(H2,25,26,27)/b21-10+/t15-/m0/s1 | | 定義日: | 2019-11-12 | | 最終更新日: | 2020-10-02 | | 公開日: | 2020-10-07 | | 識別子（ID）: | (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid |
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 | | DZU | | 表記: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline | | 組成式: | C33 H35 N5 O | | SMILES: | CN1CCN(CCCOc2cccc(c2)n3c(C=Cc4cccc5cccnc45)nc6cc(C)ccc36)CC1 | | InChi: | InChI=1S/C33H35N5O/c1-25-12-14-31-30(23-25)35-32(15-13-27-8-3-7-26-9-5-16-34-33(26)27)38(31)28-10-4-11-29(24-28)39-22-6-17-37-20-18-36(2)19-21-37/h3-5,7-16,23-24H,6,17-22H2,1-2H3/b15-13+ | | 定義日: | 2019-09-26 | | 最終更新日: | 2020-09-25 | | 公開日: | 2020-09-30 | | 識別子（ID）: | 8-[(~{E})-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline |
|
 | | PUJ | | 表記: | (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz
o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium | | 組成式: | C39 H48 F2 N3 O5 Si | | SMILES: | c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C | | InChi: | InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1 | | 別名: | JF635 | | 定義日: | 2019-08-23 | | 最終更新日: | 2020-09-25 | | 公開日: | 2020-09-30 | | 識別子（ID）: | (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium |
|
 | | E1O | | 表記: | (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid | | 組成式: | C11 H15 N2 O7 P S | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CS)C(O)=O)c1O | | InChi: | InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2-3,9,14,22H,4-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-3+/t9-/m0/s1 | | 定義日: | 2019-10-02 | | 最終更新日: | 2020-09-18 | | 公開日: | 2020-09-23 | | 識別子（ID）: | (2~{R})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid |
|
 | | E1R | | 表記: | (2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid | | 組成式: | C13 H17 N2 O9 P | | SMILES: | CC(=O)OC[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C13H17N2O9P/c1-7-12(17)10(9(3-14-7)5-24-25(20,21)22)4-15-11(13(18)19)6-23-8(2)16/h3-4,11,17H,5-6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-4+/t11-/m0/s1 | | 定義日: | 2019-10-02 | | 最終更新日: | 2020-09-18 | | 公開日: | 2020-09-23 | | 識別子（ID）: | (2~{S})-3-acetyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid |
|
 | | E1U | | 表記: | (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid | | 組成式: | C11 H16 N2 O11 P2 | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CO[P](O)(O)=O)C(O)=O)c1O | | InChi: | InChI=1S/C11H16N2O11P2/c1-6-10(14)8(7(2-12-6)4-23-25(17,18)19)3-13-9(11(15)16)5-24-26(20,21)22/h2-3,9,14H,4-5H2,1H3,(H,15,16)(H2,17,18,19)(H2,20,21,22)/t9-/m0/s1 | | 定義日: | 2019-10-02 | | 最終更新日: | 2020-09-18 | | 公開日: | 2020-09-23 | | 識別子（ID）: | (2~{S})-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid |
|
 | | Q4M | | 表記: | [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone | | 組成式: | C21 H18 Cl N3 O2 | | SMILES: | c54c(cc(C(N2CC(c1c3c(ccc12)ncc3)CCl)=O)n4)cc(cc5)OC | | InChi: | InChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3/t13-/m1/s1 | | 定義日: | 2019-09-20 | | 最終更新日: | 2020-09-18 | | 公開日: | 2020-09-23 | | 識別子（ID）: | [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone |
|
 | | Q4P | | 表記: | [(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone | | 組成式: | C20 H14 Cl F N2 O2 | | SMILES: | c15c(cc(F)cc1)cc(C(N2CC(CCl)c3c4c(ccc23)occ4)=O)n5 | | InChi: | InChI=1S/C20H14ClFN2O2/c21-9-12-10-24(17-3-4-18-14(19(12)17)5-6-26-18)20(25)16-8-11-7-13(22)1-2-15(11)23-16/h1-8,12,23H,9-10H2/t12-/m1/s1 | | 定義日: | 2019-09-20 | | 最終更新日: | 2020-09-18 | | 公開日: | 2020-09-23 | | 識別子（ID）: | [(8S)-8-(chloromethyl)-7,8-dihydro-6H-furo[3,2-e]indol-6-yl](5-fluoro-1H-indol-2-yl)methanone |
|
 | | VK7 | | 表記: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | 組成式: | C30 H26 F8 N2 O5 S | | SMILES: | c2(c(C(C(F)(F)F)(C(F)(F)F)F)cc1CCC4C(c1c2)(S(c3ccc(cc3)F)(=O)=O)CCN4C(=O)C5CCC(CC5)C(=O)O)C#N | | InChi: | InChI=1S/C30H26F8N2O5S/c31-20-6-8-21(9-7-20)46(44,45)27-11-12-40(25(41)16-1-3-17(4-2-16)26(42)43)24(27)10-5-18-13-23(19(15-39)14-22(18)27)28(32,29(33,34)35)30(36,37)38/h6-9,13-14,16-17,24H,1-5,10-12H2,(H,42,43)/t16-,17-,24-,27-/m1/s1 | | 定義日: | 2020-08-19 | | 最終更新日: | 2020-09-11 | | 公開日: | 2020-09-16 | | 識別子（ID）: | trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid |
|
 | | RTL | | 表記: | RETINOL | | 組成式: | C20 H30 O | | SMILES: | C1(CCCC(=C1C=CC(=CC=CC(=CCO)C)C)C)(C)C | | InChi: | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-09-03 | | 識別子（ID）: | retinol |
|
 | | HQH | | 表記: | Piericidin A | | 組成式: | C25 H37 N O4 | | SMILES: | COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C | | InChi: | InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1 | | 定義日: | 2018-12-16 | | 最終更新日: | 2020-08-28 | | 公開日: | 2020-09-02 | | 識別子（ID）: | 2,3-dimethoxy-5-methyl-6-[(2~{E},5~{E},7~{E},9~{R},10~{R},11~{E})-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1~{H}-pyridin-4-one |
|
 | | HQW | | 表記: | Aureothin | | 組成式: | C22 H23 N O6 | | SMILES: | COC1=C(C)C(=O)C(=C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+]([O-])=O)C | | InChi: | InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1 | | 定義日: | 2018-12-16 | | 最終更新日: | 2020-08-28 | | 公開日: | 2020-09-02 | | 識別子（ID）: | 2-methoxy-3,5-dimethyl-6-[(2~{R},4~{Z})-4-[(~{E})-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one |
|
 | | GHV | | 表記: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide | | 組成式: | C27 H34 N4 O4 | | SMILES: | CN(C)c1ccc(C=CC(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1 | | InChi: | InChI=1S/C27H34N4O4/c1-31(2)23-11-8-19(9-12-23)10-13-25(33)30-24(16-20-6-4-3-5-7-20)27(35)29-22(18-32)17-21-14-15-28-26(21)34/h3-13,21-22,24,32H,14-18H2,1-2H3,(H,28,34)(H,29,35)(H,30,33)/b13-10+/t21-,22-,24-/m0/s1 | | 定義日: | 2012-08-13 | | 最終更新日: | 2020-08-25 | | 公開日: | 2016-06-01 | | 識別子（ID）: | (2~{S})-2-[[(~{E})-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide |
|
 | | E5Z | | 表記: | ~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide | | 組成式: | C15 H17 N5 O4 S | | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2 | | InChi: | InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+ | | 定義日: | 2018-02-20 | | 最終更新日: | 2020-08-21 | | 公開日: | 2020-08-26 | | 識別子（ID）: | ~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide |
|
 | | M9Q | | 表記: | ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate | | 組成式: | C32 H46 O5 | | SMILES: | CCOC(=O)C=CC1(CC1)[CH](O)C=C[CH](C)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C | | InChi: | InChI=1S/C32H46O5/c1-5-37-30(36)14-16-32(17-18-32)29(35)13-8-21(2)26-11-12-27-23(7-6-15-31(26,27)4)9-10-24-19-25(33)20-28(34)22(24)3/h8-10,13-14,16,21,25-29,33-35H,3,5-7,11-12,15,17-20H2,1-2,4H3/b13-8+,16-14-,23-9+,24-10-/t21-,25-,26-,27+,28+,29-,31-/m1/s1 | | 定義日: | 2019-10-09 | | 最終更新日: | 2020-08-21 | | 公開日: | 2020-08-26 | | 識別子（ID）: | ethyl (~{Z})-3-[1-[(~{E},1~{R},4~{R})-4-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[(2~{Z})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropyl]prop-2-enoate |
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 | | DL9 | | 表記: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol | | 組成式: | C31 H35 N O2 | | SMILES: | OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5 | | InChi: | InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+ | | 定義日: | 2019-08-13 | | 最終更新日: | 2020-08-07 | | 公開日: | 2020-08-12 | | 識別子（ID）: | 4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol |
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 | | EOU | | 表記: | dimethyl (~{E})-but-2-enedioate | | 組成式: | C6 H8 O4 | | SMILES: | COC(=O)C=CC(=O)OC | | InChi: | InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ | | 定義日: | 2020-01-17 | | 最終更新日: | 2020-07-31 | | 公開日: | 2020-08-05 | | 識別子（ID）: | dimethyl (~{E})-but-2-enedioate |
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 | | D9F | | 表記: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one | | 組成式: | C24 H34 O5 | | SMILES: | C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](O)CC=CC=CC(=O)O1 | | InChi: | InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8-,18-12-/t20-,21-,22+,23+/m1/s1 | | 定義日: | 2019-07-24 | | 最終更新日: | 2020-07-24 | | 公開日: | 2020-07-29 | | 識別子（ID）: | (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one |
|
 | | D9O | | 表記: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid | | 組成式: | C28 H38 O8 | | SMILES: | C[CH]1CCCC=CC=C[CH](O)C[CH](O)CC=CC=C[CH](CC=CC=CC(=O)O1)OC(=O)CCC(O)=O | | InChi: | InChI=1S/C28H38O8/c1-22-13-7-3-2-4-8-14-23(29)21-24(30)15-9-5-10-16-25(36-28(34)20-19-26(31)32)17-11-6-12-18-27(33)35-22/h2,4-6,8-12,14,16,18,22-25,29-30H,3,7,13,15,17,19-21H2,1H3,(H,31,32)/b4-2+,9-5+,11-6-,14-8-,16-10+,18-12+/t22-,23+,24+,25-/m1/s1 | | 定義日: | 2019-07-24 | | 最終更新日: | 2020-07-24 | | 公開日: | 2020-07-29 | | 識別子（ID）: | 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid |
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 | | SVG | | 表記: | (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine | | 組成式: | C14 H13 Cl N2 | | SMILES: | CC(=NCc1cccnc1)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+ | | 定義日: | 2020-03-11 | | 最終更新日: | 2020-07-17 | | 公開日: | 2020-07-22 | | 識別子（ID）: | (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine |
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 | | SZZ | | 表記: | Sinigrin | | 組成式: | C10 H17 N O9 S2 | | SMILES: | OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1 | | 定義日: | 2016-11-16 | | 最終更新日: | 2020-07-17 | | 公開日: | 2017-07-05 | | 識別子（ID）: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]
(1~{E})-~{N}-sulfooxybut-3-enimidothioate |
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 | | TEU | | 表記: | 1-O-alpha-D-glucopyranosyl-D-fructose | | 組成式: | C12 H22 O11 | | SMILES: | O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1 | | 別名: | 1-O-alpha-D-glucosyl-D-fructose | | 定義日: | 2012-10-04 | | 最終更新日: | 2020-07-17 | | 公開日: | 2013-09-25 | | 識別子（ID）: | 1-O-alpha-D-glucopyranosyl-D-fructose |
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 | | 9C1 | | 表記: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose | | 組成式: | C10 H16 Cl N O6 | | SMILES: | C(=C/CCl)C(=O)NC1C(C(C(CO)OC1O)O)O | | InChi: | InChI=1S/C10H16ClNO6/c11-3-1-2-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h1-2,5,7-10,13,15-17H,3-4H2,(H,12,14)/b2-1+/t5-,7-,8-,9-,10-/m1/s1 | | 別名: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucose | | 定義日: | 2017-04-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2017-10-18 | | 識別子（ID）: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose |
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 | | 9CD | | 表記: | 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose | | 組成式: | C10 H17 N O6 | | SMILES: | OC1C(C(OC(C1O)CO)O)NC([C@H]=CC)=O | | InChi: | InChI=1S/C10H17NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h2-3,5,7-10,12,14-16H,4H2,1H3,(H,11,13)/b3-2+/t5-,7-,8-,9-,10-/m1/s1 | | 別名: | 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucose | | 定義日: | 2017-04-18 | | 最終更新日: | 2020-07-17 | | 公開日: | 2017-10-18 | | 識別子（ID）: | 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose |
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 | | KME | | 表記: | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid | | 組成式: | C12 H20 O8 | | SMILES: | O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C(OC)CO | | InChi: | InChI=1S/C12H20O8/c1-3-4-19-12(11(16)17)5-7(14)9(15)10(20-12)8(6-13)18-2/h3-4,7-10,13-15H,5-6H2,1-2H3,(H,16,17)/b4-3+/t7-,8-,9-,10-,12-/m1/s1 | | 別名: | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid | | 定義日: | 2009-08-06 | | 最終更新日: | 2020-07-17 | | 識別子（ID）: | (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid |
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