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383
383
表記:[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (2,4,5,8-TETRAHYDROXY-7-OXA-2-AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
組成式:C17 H23 N3 O9
SMILES:O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C3N(O)C2OCC(O)(C2O)C3O
InChi:InChI=1S/C17H23N3O9/c18-9(5-7-1-3-8(21)4-2-7)14(24)19-10(16(25)26)11-12(22)17(27)6-29-15(13(17)23)20(11)28/h1-4,9-13,15,21-23,27-28H,5-6,18H2,(H,19,24)(H,25,26)/t9-,10-,11-,12-,13-,15-,17+/m0/s1
別名:SB-219383
定義日:2001-07-05
最終更新日:2021-03-01
識別子（ID）:(2S)-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]oct-3-yl](L-tyrosylamino)ethanoic acid
39H
39H
表記:2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
組成式:C23 H21 N3 O3
SMILES:O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5
InChi:InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
別名:D67
定義日:2014-07-10
最終更新日:2021-03-01
公開日:2014-07-23
識別子（ID）:2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
39W
39W
表記:(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
組成式:C37 H45 F N6 O7 S2
SMILES:O=S(=O)(NC(=O)C12NC(=O)N6C(C(=O)N(C)CCCCC=CC2C1)CC(Oc4cc(nc3c(F)c(OC)ccc34)c5nc(cs5)C(C)C)C6)C7(C)CC7
InChi:InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1
別名:IDX320
定義日:2014-07-14
最終更新日:2021-03-01
公開日:2015-07-29
識別子（ID）:(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
3AT
3AT
表記:3'-DEOXYADENOSINE-5'-TRIPHOSPHATE
組成式:C10 H16 N5 O12 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
InChi:InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
別名:CORDYCEPIN TRIPHOSPHATE
定義日:2000-06-21
最終更新日:2021-03-01
識別子（ID）:3'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
3B8
3B8
表記:2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
組成式:C13 H8 F N3 O3
SMILES:Fc2cc1C(=O)c3cc(c(nc3Oc1cc2)N)C(=O)N
InChi:InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)
別名:2-Amino-6-fluoro-10-oxo-10H-9-oxa-1-aza-anthracene-3-carboxylic acid amide
定義日:2007-11-20
最終更新日:2021-03-01
識別子（ID）:2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
3CB
3CB
表記:N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE
組成式:C27 H37 N7 O6 S
SMILES:O=C(O)c1cc(ccc1)CS(=O)(=O)NC(C(=O)NC(C(=O)NCc2ccc(cc2)C(=[N@H])N)CCC(=[N@H])N)C(C)CC
InChi:InChI=1S/C27H37N7O6S/c1-3-16(2)23(34-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)33-21(11-12-22(28)29)25(35)32-14-17-7-9-19(10-8-17)24(30)31/h4-10,13,16,21,23,34H,3,11-12,14-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,32,35)(H,33,36)(H,37,38)/t16-,21+,23-/m1/s1
別名:3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID
定義日:2004-11-24
最終更新日:2021-03-01
識別子（ID）:N-[(3-carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide
3CD
3CD
表記:3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
組成式:C22 H28 Cl N6 O14 P2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
別名:3-CAPAD
定義日:2010-02-10
最終更新日:2021-03-01
識別子（ID）:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
3CM
3CM
表記:3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
組成式:C21 H38 O11
SMILES:O(CCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C21H38O11/c22-9-12-14(24)15(25)17(27)21(30-12)32-19-13(10-23)31-20(18(28)16(19)26)29-8-4-7-11-5-2-1-3-6-11/h11-28H,1-10H2/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1
別名:CYMAL-3
定義日:2006-08-09
最終更新日:2021-03-01
識別子（ID）:3-cyclohexylpropyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
3D1
3D1
表記:(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
組成式:C10 H13 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N
InChi:InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
別名:2'-DEOXYADENOSINE
定義日:2004-02-16
最終更新日:2021-03-01
識別子（ID）:2'-deoxyadenosine
3DS
3DS
表記:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
組成式:C7 H8 O5
SMILES:O=C1C=C(C(=O)O)CC(O)C1O
InChi:InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
別名:3-dehydroshikimate
定義日:2010-05-27
最終更新日:2021-03-01
識別子（ID）:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
3E1
3E1
表記:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
組成式:C16 H16 N2 O4
SMILES:O=C(Nc1cc(c(O)cc1)c2cc(ccc2O)NC(=O)C)C
InChi:InChI=1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
別名:acetaminophen dimer
定義日:2014-08-04
最終更新日:2021-03-01
公開日:2014-08-13
識別子（ID）:N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide
3F0
3F0
表記:2-azanyl-3-fluoranyl-benzoic acid
組成式:C7 H6 F N O2
SMILES:Fc1cccc(C(=O)O)c1N
InChi:InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
別名:3-fluoroanthranilate
定義日:2014-02-05
最終更新日:2021-03-01
公開日:2014-04-23
識別子（ID）:2-amino-3-fluorobenzoic acid
3F2
3F2
表記:N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
組成式:C32 H28 N6 O2
SMILES:O=C(Nc2cc(C1=NCCN1)ccc2)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5cccc(c5)C6=NCCN6
InChi:InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)
別名:BPH-1358
定義日:2014-08-05
最終更新日:2021-03-01
公開日:2015-02-04
識別子（ID）:N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide
3FA
3FA
表記:3-FLUOROBENZENE-1,2-DIOL
組成式:C6 H5 F O2
SMILES:Fc1cccc(O)c1O
InChi:InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
別名:3-FLUOROCATECHOL
定義日:2005-09-06
最終更新日:2021-03-01
識別子（ID）:3-fluorobenzene-1,2-diol
3FQ
3FQ
表記:(2S)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
組成式:C22 H25 F4 N5 O3
SMILES:FC(F)(F)c1cc(c(F)cc1)NC3(O)N=CNC(Nc2ccc(OCC(O)CN(C)C)cc2)=C3
InChi:InChI=1S/C22H25F4N5O3/c1-31(2)11-16(32)12-34-17-6-4-15(5-7-17)29-20-10-21(33,28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,29-30,32-33H,11-12H2,1-2H3,(H,27,28)/t16-,21+/m0/s1
別名:1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
定義日:2002-06-11
最終更新日:2021-03-01
識別子（ID）:(4S)-6-[(4-{[(2S)-3-(dimethylamino)-2-hydroxypropyl]oxy}phenyl)amino]-4-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}-1,4-dihydropyrimidin-4-ol
3GB
3GB
表記:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
組成式:C62 H117 N O18
SMILES:O=C(NC(C(O)/C=C/CCCCCCCCCCCCC)COC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53+,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1
別名:Globotrihexosylceramide
定義日:2011-08-04
最終更新日:2021-03-01
識別子（ID）:N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide
3IL
3IL
表記:3-(INDOL-3-YL) LACTATE
組成式:C11 H11 N O3
SMILES:O=C(O)C(O)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
別名:(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID
定義日:2005-09-07
最終更新日:2021-03-01
識別子（ID）:(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
3IT
3IT
表記:2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
組成式:C10 H10 O2
SMILES:C=C(/C)C=1C=CC=CC(=O)C=1O
InChi:InChI=1S/C10H10O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-6H,1H2,2H3,(H,11,12)
別名:3-isopropenyl-tropolone
定義日:2015-03-20
最終更新日:2021-03-01
公開日:2015-10-21
識別子（ID）:2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one
3JN
3JN
表記:3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
組成式:C12 H10 O6
SMILES:O=C(O)C/C=C/c1cccc(C(=O)O)c1C(=O)O
InChi:InChI=1S/C12H10O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1-5H,6H2,(H,13,14)(H,15,16)(H,17,18)/b4-2+
別名:3-carboxy-propenyl-phthalic acid
定義日:2014-08-27
最終更新日:2021-03-01
公開日:2014-12-10
識別子（ID）:3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid
3K5
3K5
表記:3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
組成式:C40 H52 O17
SMILES:O=C(OC1C(O)C(OC(C)C1O)OC7C(OC(=O)C)C(O)C(OC7OC(=O)C6CCC5C(OC3(OCC(C(OC(=O)C=Cc2ccccc2)C3)C)C54OC4)C6)C)C
InChi:InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1
別名:Phyllanthoside
定義日:2014-08-29
最終更新日:2021-03-01
公開日:2014-10-22
識別子（ID）:3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose
3KK
3KK
表記:S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
組成式:C25 H42 N7 O18 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)(C)C
InChi:InChI=1S/C25H42N7O18P3S/c1-24(2,18(35)21(36)28-6-5-14(33)27-7-8-54-23(37)25(3,4)38)10-47-53(44,45)50-52(42,43)46-9-13-17(49-51(39,40)41)16(34)22(48-13)32-12-31-15-19(26)29-11-30-20(15)32/h11-13,16-18,22,34-35,38H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,16-,17-,18+,22-/m1/s1
別名:2-Hydroxyisobutyryl-Coenzyme A
定義日:2014-09-04
最終更新日:2021-03-01
公開日:2015-03-11
識別子（ID）:S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate (non-preferred name)
3KL
3KL
表記:(5beta,9beta)-3-oxocholan-24-oic acid
組成式:C24 H38 O3
SMILES:O=C(O)CCC(C1CCC2C1(C)CCC4C2CCC3CC(=O)CCC34C)C
InChi:InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1
別名:3-keto-lithocholic acid
定義日:2013-02-08
最終更新日:2021-03-01
公開日:2013-06-26
識別子（ID）:(5beta,9beta)-3-oxocholan-24-oic acid
3L1
3L1
表記:(2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol
組成式:C10 H13 N5 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N
InChi:InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m1/s1
別名:L-2'-deoxyadenosine
定義日:2008-02-18
最終更新日:2021-03-01
識別子（ID）:9-(2-deoxy-beta-L-erythro-pentofuranosyl)-9H-purin-6-amine
3L2
3L2
表記:(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
組成式:C27 H34 O9
SMILES:O=C1OC5CC4OC2C=C(C)CCC2(COC(=O)C(O)C(C)CCOC(=O)C=CC=C1)C5(C)C34OC3
InChi:InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1
別名:Verrucarin A
定義日:2014-09-11
最終更新日:2021-03-01
公開日:2014-10-22
識別子（ID）:(4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione
6TL
6TL
表記:5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
組成式:C33 H40 N6 O
SMILES:O=C(NCCCN1CCCC1)c2cncc(c2)c3ccccc3N4CCN(CC4)CCc5c[nH]c6ccccc56
InChi:InChI=1S/C33H40N6O/c40-33(35-13-7-16-37-14-5-6-15-37)28-22-27(23-34-24-28)30-9-2-4-11-32(30)39-20-18-38(19-21-39)17-12-26-25-36-31-10-3-1-8-29(26)31/h1-4,8-11,22-25,36H,5-7,12-21H2,(H,35,40)
別名:AZ506
定義日:2016-06-21
最終更新日:2021-03-01
公開日:2016-12-07
識別子（ID）:5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide

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