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2HC
2HC
表記:(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
組成式:C9 H8 O3
SMILES:O=C(O)/C=C/c1ccccc1O
InChi:InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
別名:TRANS-2-HYDROXYCINNAMIC ACID
定義日:2003-12-22
最終更新日:2020-06-17
識別子（ID）:(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
VLB
VLB
表記:(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
組成式:C46 H58 N4 O9
SMILES:O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c5c(OC)cc6c(c5)C89C(N6C)C(O)(C(=O)OC)C(OC(=O)C)C7(C=CCN(C78)CC9)CC
InChi:InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
別名:VINBLASTINE
定義日:2005-03-17
最終更新日:2020-06-17
識別子（ID）:(2alpha,2'beta,3alpha,5beta,19beta)-vincaleukoblastine
2HN
2HN
表記:(1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
組成式:C14 H11 F5 O6
SMILES:O=C1C(C(O)(C(=O)O)CC(O)C1O)Cc2c(F)c(F)c(F)c(F)c2F
InChi:InChI=1S/C14H11F5O6/c15-6-3(7(16)9(18)10(19)8(6)17)1-4-11(21)12(22)5(20)2-14(4,25)13(23)24/h4-5,12,20,22,25H,1-2H2,(H,23,24)/t4-,5-,12+,14-/m1/s1
別名:(1R,2S,4S,5R)-2-(perfluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid
定義日:2012-08-14
最終更新日:2020-06-17
公開日:2012-12-14
識別子（ID）:(1R,2S,4S,5R)-1,4,5-trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid
TNS
TNS
表記:N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID
組成式:C20 H22 N2 O4
SMILES:[O-][N+](=O)c1ccc(cc1)C=Cc2ccc(N(C)CCCCC(=O)O)cc2
InChi:InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+
別名:5-[{4-[(E)-2-(4-NITROPHENYL)VINYL]PHENYL}(METHYL)AMINO]PENTANOIC ACID
定義日:2006-02-20
最終更新日:2020-06-17
識別子（ID）:5-(methyl{4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl}amino)pentanoic acid
TO1
TO1
表記:4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C12 H13 N5 O4
SMILES:N#Cc2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
別名:TOYOCAMYCIN
定義日:2011-04-22
最終更新日:2020-06-17
識別子（ID）:4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2K2
2K2
表記:PKC412
組成式:C35 H30 N4 O4
SMILES:O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C
InChi:InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
別名:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
定義日:2013-11-13
最終更新日:2020-06-17
公開日:2015-04-01
識別子（ID）:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
TOI
TOI
表記:(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
組成式:C26 H35 N4 O16 P2 S
SMILES:CC1=NC(=N)C(=CN1)C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](O)(CCC(O)=O)[CH]3C=C[CH](OC(=C)C(O)=O)[CH](O)[CH]3C(O)=O
InChi:InChI=1S/C26H34N4O16P2S/c1-12-18(7-9-44-48(42,43)46-47(39,40)41)49-25(30(12)11-15-10-28-14(3)29-22(15)27)26(38,8-6-19(31)32)16-4-5-17(45-13(2)23(34)35)21(33)20(16)24(36)37/h4-5,10,16-17,20-21,33,38H,2,6-9,11H2,1,3H3,(H7-,27,28,29,31,32,34,35,36,37,39,40,41,42,43)/p+1/t16-,17-,20+,21+,26-/m0/s1
別名:ThDP, decarboxylated 2-oxoglutarate and isochorismate adduct, covalent intermediate II
定義日:2015-11-17
最終更新日:2020-06-17
公開日:2016-06-22
識別子（ID）:(1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid
TP0
TP0
表記:Amitriptyline
組成式:C20 H23 N
SMILES:c3cc2c(/C(c1c(cccc1)CC2)=C/CCN(C)C)cc3
InChi:InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
別名:3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
定義日:2010-11-09
最終更新日:2020-06-17
識別子（ID）:3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
TP3
TP3
表記:4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE
組成式:C17 H20 N2 O9 S
SMILES:O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2
InChi:InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1
別名:SP-722
定義日:2000-06-13
最終更新日:2020-06-17
識別子（ID）:N-[(4-{[(2R)-2-carboxypyrrolidin-1-yl]sulfonyl}phenyl)carbonyl]-L-glutamic acid
TP4
TP4
表記:N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID
組成式:C20 H25 N3 O10 S
SMILES:O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc1)CCC2
InChi:InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1
別名:SP-876
定義日:2000-06-13
最終更新日:2020-06-17
識別子（ID）:1-[(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)sulfonyl]-D-prolyl-beta-alanine
TP8
TP8
表記:5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2- METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM
組成式:C15 H21 N4 O12 P3 S
SMILES:CC1=NC(=N)[CH](C[n+]2c(C)c(CCO[P]([O-])(=O)O[P](O)([O-])=O)sc2C(O)=CCO[P](O)([O-])=O)C=N1
InChi:InChI=1S/C15H23N4O12P3S/c1-9-13(4-6-30-34(27,28)31-33(24,25)26)35-15(12(20)3-5-29-32(21,22)23)19(9)8-11-7-17-10(2)18-14(11)16/h3,7,11,16H,4-6,8H2,1-2H3,(H5-,20,21,22,23,24,25,26,27,28)/p-2/b12-3-,16-14+
別名:PUTATIVE ENOL(ATE)-THDP REACTION INTERMEDIATE
定義日:2006-10-13
最終更新日:2020-06-17
識別子（ID）:[(Z)-3-hydroxy-3-[5-[2-[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxyethyl]-3-[[(5S)-4-imino-2-methyl-5H-pyrimidin-5-yl]methyl]-4-methyl-1,3-thiazol-3-ium-2-yl]prop-2-enyl] hydrogen phosphate
2KZ
2KZ
表記:2-amino maleic acid
組成式:C4 H5 N O4
SMILES:O=C(O)C=C(N)C(=O)O
InChi:InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+
別名:(2E)-2-aminobut-2-enedioic acid
定義日:2014-04-11
最終更新日:2020-06-17
公開日:2015-03-11
識別子（ID）:(2E)-2-aminobut-2-enedioic acid
TPF
TPF
表記:2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
組成式:C13 H12 F2 N6 O
SMILES:Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3
InChi:InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
別名:FLUCONAZOLE
定義日:2000-11-03
最終更新日:2020-06-17
識別子（ID）:2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol
TPW
TPW
表記:2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
組成式:C13 H19 N3 O7 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1scc(c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C13H19N3O7P2S/c1-8-11(5-10-6-15-9(2)16-13(10)14)7-26-12(8)3-4-22-25(20,21)23-24(17,18)19/h6-7H,3-5H2,1-2H3,(H,20,21)(H2,14,15,16)(H2,17,18,19)
別名:3-DEAZA-THDP
定義日:2007-02-26
最終更新日:2020-06-17
識別子（ID）:2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate
2MD
2MD
表記:GUANYLATE-O'-PHOSPHORIC ACID MONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,5,6,7,8A,9,10,10A-OCTAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL) ESTER
組成式:C20 H28 N10 O13 P2 S2
SMILES:O=C1C=2NC3C(S)C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:InChI=1S/C20H28N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-12,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,11+,12-,17-,18-/m1/s1
別名:MOLYBDENUM COFACTOR,BIS (MOLYBDOPTERIN GUANINE DINUCLEOTIDE)
定義日:1999-10-08
最終更新日:2020-06-17
識別子（ID）:5'-O-[(R)-{[(S)-{[(5aR,6R,7S,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
TR5
TR5
表記:5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
組成式:C13 H17 N6 O7 P
SMILES:O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncnc1c23)C)N)C(O)C4O
InChi:InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
別名:Triciribine phosphate
定義日:2012-07-13
最終更新日:2020-06-17
公開日:2012-12-28
識別子（ID）:5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
TRD
TRD
表記:TRIDECANE
組成式:C13 H28
SMILES:C(CCCCCCCC)CCCC
InChi:InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
別名:LIPID FRAGMENT
定義日:1999-09-17
最終更新日:2020-06-17
識別子（ID）:tridecane
2NA
2NA
表記:naphthalen-2-ylmethanol
組成式:C11 H10 O
SMILES:OCc2ccc1c(cccc1)c2
InChi:InChI=1S/C11H10O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2
別名:Naphthalenemethanol
定義日:2008-09-10
最終更新日:2020-06-17
識別子（ID）:naphthalen-2-ylmethanol
TRS
TRS
表記:2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
組成式:C4 H12 N O3
SMILES:OCC([NH3+])(CO)CO
InChi:InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
別名:TRIS BUFFER
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium
TRT
TRT
表記:FRAGMENT OF TRITON X-100
組成式:C21 H36 O4
SMILES:O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
InChi:InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
別名:1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
定義日:2003-06-27
最終更新日:2020-06-17
識別子（ID）:1-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene
B1V
B1V
表記:2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL
組成式:C12 H14 F3 N3 O2 S
SMILES:O=C(N1CCCCC1)CSc2nc(cc(O)n2)C(F)(F)F
InChi:InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)
別名:2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)THIO]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4(1H)-ONE
定義日:2004-06-22
最終更新日:2020-06-17
識別子（ID）:2-[(2-oxo-2-piperidin-1-ylethyl)sulfanyl]-6-(trifluoromethyl)pyrimidin-4-ol
B1Z
B1Z
表記:Adenosylcobalamin
組成式:C72 H101 Co N18 O17 P
SMILES:C[CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3N|4=C2C(=C5N|6=C(C=C7N|8=C(C(=C9[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]3(C)[N]9[Co]|4|6|8(C[CH]%10O[CH]([CH](O)[CH]%10O)n%11cnc%12c(N)ncnc%11%12)|n%13cn([CH]%14O[CH](CO)[CH](O[P](O)(=O)O1)[CH]%14O)c%15cc(C)c(C)cc%13%15)C)[C](C)(CC(N)=O)[CH]7CCC(N)=O)C(C)(C)[CH]5CCC(N)=O)C
InChi:InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
別名:Cobamamide
定義日:2012-09-13
最終更新日:2020-06-17
公開日:2012-10-12
B25
B25
表記:5-nitro-1H-indole-2-carboximidamide
組成式:C9 H8 N4 O2
SMILES:[O-][N+](=O)c1cc2c(cc1)nc(c2)C(=[N@H])N
InChi:InChI=1S/C9H8N4O2/c10-9(11)8-4-5-3-6(13(14)15)1-2-7(5)12-8/h1-4,12H,(H3,10,11)
別名:5-nitro-1H-indole-2-amidine
定義日:2010-05-10
最終更新日:2020-06-17
識別子（ID）:5-nitro-1H-indole-2-carboximidamide
TSV
TSV
表記:(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
組成式:C35 H44 F N5 O9 S
SMILES:O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc3cccc(F)c3c4)C5)C6CC6
InChi:InChI=1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
別名:ITMN-191
定義日:2010-04-21
最終更新日:2020-06-17
識別子（ID）:(2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
B2B
B2B
表記:(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
組成式:C34 H54 O12
SMILES:O=C(OC(C)C(C)C(O)CC(=O)C(C)C(O)CCC(C)CC(C)CCC=C(C=CC(=O)O)CC)CC(O)C(=C(C(=O)O)C)C(=O)O
InChi:InChI=1S/C34H54O12/c1-8-25(13-15-30(39)40)11-9-10-19(2)16-20(3)12-14-26(35)22(5)28(37)17-27(36)21(4)24(7)46-31(41)18-29(38)32(34(44)45)23(6)33(42)43/h11,13,15,19-22,24,26-27,29,35-36,38H,8-10,12,14,16-18H2,1-7H3,(H,39,40)(H,42,43)(H,44,45)/b15-13+,25-11+,32-23-/t19-,20-,21+,22-,24+,26-,27+,29+/m0/s1
別名:tautomycetin analogue TTNB1B
定義日:2010-04-26
最終更新日:2020-06-17
識別子（ID）:(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13S,16E,18E)-19-carboxy-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6-oxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid

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件を2025-07-09に公開中

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