Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 36565 件 BIRD

I84

I84
表記:	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
組成式:	C19 H22 N2 O5 S
SMILES:	O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C
InChi:	InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
別名:	INHIBITOR IDD 384
定義日:	2000-03-21
最終更新日:	2021-03-01
識別子（ID）:	N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine

20D

20D
表記:	2-(4-fluorophenyl)-4H-chromen-4-one
組成式:	C15 H9 F O2
SMILES:	Fc3ccc(C=2Oc1ccccc1C(=O)C=2)cc3
InChi:	InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
別名:	4'-fluoroflavone
定義日:	2012-10-19
最終更新日:	2021-03-01
公開日:	2012-10-26
識別子（ID）:	2-(4-fluorophenyl)-4H-chromen-4-one

212

212
表記:	ALENDRONATE
組成式:	C4 H13 N O7 P2
SMILES:	O=P(O)(O)C(O)(CCCN)P(=O)(O)O
InChi:	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
別名:	(4-AMINO-1-HYDROXY-1-PHOSPHONO-BUTYL)PHOSPHONIC ACID
定義日:	2006-01-11
最終更新日:	2021-03-01
公開日:	2015-12-09
識別子（ID）:	(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)

IAA

IAA
表記:	({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID
組成式:	C18 H13 N3 O4
SMILES:	O=C(O)CON=C3/C4=CC=CCC4=N/C3=C1/C2=CC=CCC2=NC1=O
InChi:	InChI=1S/C18H13N3O4/c22-14(23)9-25-21-16-11-6-2-4-8-13(11)19-17(16)15-10-5-1-3-7-12(10)20-18(15)24/h1-6H,7-9H2,(H,22,23)/b17-15-,21-16+
別名:	2-{O-[2'-(2-OXO-(2H3H)INDOLE-3-YLIDENE)-(2'H3'H)INDOLE-3'-YLIDENE]-AMINOOXY}-ACETATE
定義日:	2005-03-23
最終更新日:	2021-03-01
識別子（ID）:	({[(2Z,3E)-2'-oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid

IB2

IB2
表記:	P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE
組成式:	C21 H29 N10 O14 P3 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](S)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C21H29N10O14P3S/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(43-20)1-41-46(36,37)7-47(38,39)45-48(40,49)42-2-9-13(33)15(35)21(44-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,49)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,48-/m1/s1
別名:	ADO-P-CH2-P-PS-ADO
定義日:	1999-07-08
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]methoxy-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphinic acid

IBI

IBI
表記:	N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide
組成式:	C34 H50 N8 O3
SMILES:	O=C6N(c1c(nc(nc1)Nc2ccc(cc2OC)C(=O)NC5CCC(N3CCN(CC3)CC4CC4)CC5)N(C(C)C)C6CC)C
InChi:	InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1
別名:	Volasertib
定義日:	2008-11-25
最終更新日:	2021-03-01
識別子（ID）:	N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide

ID3

ID3
表記:	(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
組成式:	C13 H20 O
SMILES:	O=C(C=CC1=C(C)CCCC1(C)C)C
InChi:	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
別名:	beta-ionone
定義日:	2010-10-12
最終更新日:	2021-03-01
識別子（ID）:	(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

IDD

IDD
表記:	(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
組成式:	C14 H16 N2 O4
SMILES:	OC2c1nc(cn1C(C(O)C2O)CO)c3ccccc3
InChi:	InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1
別名:	GLUCO-PHENYLIMIDAZOLE
定義日:	2002-05-22
最終更新日:	2021-03-01
識別子（ID）:	(5R,6R,7S,8S)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

IDE

IDE
表記:	(5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
組成式:	C15 H19 N3 O4
SMILES:	OC2c1nc(cn1C(C(O)C2O)CO)CNc3ccccc3
InChi:	InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14-/m1/s1
別名:	ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE
定義日:	2005-05-11
最終更新日:	2021-03-01
識別子（ID）:	(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

GTA

GTA
表記:	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE
組成式:	C21 H30 N10 O17 P3
SMILES:	O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)N
InChi:	InChI=1S/C21H29N10O17P3/c1-29-6-31(17-10(29)18(36)28-21(23)27-17)20-14(35)12(33)8(46-20)3-44-50(39,40)48-51(41,42)47-49(37,38)43-2-7-11(32)13(34)19(45-7)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-35H,2-3H2,1H3,(H7-,22,23,24,25,27,28,36,37,38,39,40,41,42)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
別名:	7-METHYL-GPPPA
定義日:	2001-05-16
最終更新日:	2021-03-01
識別子（ID）:	2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name)

GUI

GUI
表記:	5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE
組成式:	C30 H40 Cl N7 O3 S
SMILES:	O=S(=O)(c1ccccc1Nc2nc(ncc2Cl)Nc3ccc(cc3OC)N5CCC(N4CCN(CC4)C)CC5)C(C)C
InChi:	InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
別名:	4-[1-(4-{[5-CHLORO-4-({2-[(1-METHYLETHYL)SULFONYL]PHENYL}AMINO)PYRIMIDIN-2-YL]AMINO}-3-METHOXYPHENYL)PIPERIDIN-4-YL]-1-METHYLPIPERAZIN-1-IUM
定義日:	2010-04-08
最終更新日:	2021-03-01
識別子（ID）:	5-chloro-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N~4~-{2-[(1-methylethyl)sulfonyl]phenyl}pyrimidine-2,4-diamine

GUS

GUS
表記:	(E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine
組成式:	C11 H14 N4 O3
SMILES:	C[CH](N=Cc1cc(NC(N)=N)ccc1O)C(O)=O
InChi:	InChI=1S/C11H14N4O3/c1-6(10(17)18)14-5-7-4-8(15-11(12)13)2-3-9(7)16/h2-6,16H,1H3,(H,17,18)(H4,12,13,15)/b14-5+/t6-/m0/s1
別名:	m-guanidinosalicylidene-L-alanine
定義日:	2009-12-03
最終更新日:	2021-03-01
識別子（ID）:	(2S)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]propanoic acid

GW0

GW0
表記:	{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
組成式:	C21 H17 F4 N O3 S2
SMILES:	O=C(O)COc3c(cc(SCc1sc(nc1C)c2cc(F)c(cc2)C(F)(F)F)cc3)C
InChi:	InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
別名:	GW 0742
定義日:	2011-09-02
最終更新日:	2021-03-01
識別子（ID）:	{4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid

1IQ

1IQ
表記:	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID
組成式:	C17 H17 N3 O3
SMILES:	O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
InChi:	InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
別名:	IMAZAQUIN
定義日:	2005-04-04
最終更新日:	2021-03-01
識別子（ID）:	2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid

GW8

GW8
表記:	1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
組成式:	C32 H36 N8 O4 S
SMILES:	O=C(N1CCN(C)CC1)c5cccc(NC(=O)Nc4ccc(N(c2nc(ncc2)Nc3ccc(cc3)CS(=O)(=O)C)C)cc4)c5
InChi:	InChI=1S/C32H36N8O4S/c1-38-17-19-40(20-18-38)30(41)24-5-4-6-27(21-24)36-32(42)35-26-11-13-28(14-12-26)39(2)29-15-16-33-31(37-29)34-25-9-7-23(8-10-25)22-45(3,43)44/h4-16,21H,17-20,22H2,1-3H3,(H,33,34,37)(H2,35,36,42)
別名:	GW830263A
定義日:	2012-03-30
最終更新日:	2021-03-01
識別子（ID）:	1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea

1KN

1KN
表記:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol
組成式:	C12 H17 N O3
SMILES:	OC2C(c1ccc(OC)cc1)NC(C)C2O
InChi:	InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1
別名:	N-desmethyl-4-epi-(+)-Codonopsinine
定義日:	2013-03-08
最終更新日:	2021-03-01
公開日:	2013-09-18
識別子（ID）:	(2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol

GY5

GY5
表記:	5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide
組成式:	C20 H24 N4 O6
SMILES:	N1(CCCC1C2=NC(C(NCCOC)=O)=C(C(N2)=O)O)C(=O)COc3ccccc3
InChi:	InChI=1S/C20H24N4O6/c1-29-11-9-21-19(27)16-17(26)20(28)23-18(22-16)14-8-5-10-24(14)15(25)12-30-13-6-3-2-4-7-13/h2-4,6-7,14,26H,5,8-12H2,1H3,(H,21,27)(H,22,23,28)/t14-/m0/s1
別名:	SRI-29685
定義日:	2017-06-09
最終更新日:	2021-03-01
公開日:	2017-12-27
識別子（ID）:	5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide

GY7

GY7
表記:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
組成式:	C24 H22 F2 N4 O4
SMILES:	c4(F)c(C(N3CCCC3C1=NC(=C(O)C(N1)=O)C(=O)NCCc2ccccc2)=O)c(ccc4)F
InChi:	InChI=1S/C24H22F2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
別名:	SRI-29731
定義日:	2017-07-11
最終更新日:	2021-03-01
公開日:	2017-12-27
識別子（ID）:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

1KX

1KX
表記:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
組成式:	C14 H18 N6 O
SMILES:	n1c(c2ncn(c2nc1N)C3C=CC(CO)C3)NC4CC4
InChi:	InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
別名:	Abacavir
定義日:	2011-12-06
最終更新日:	2021-03-01
識別子（ID）:	{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol

GY9

GY9
表記:	2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
組成式:	C25 H25 Cl N4 O6
SMILES:	C=2(NC(C(=C(C(=O)NCCOc1ccccc1)N=2)O)=O)C4CCCN4C(COc3c(cccc3)Cl)=O
InChi:	InChI=1S/C25H25ClN4O6/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1
別名:	SRI-29835
定義日:	2017-06-22
最終更新日:	2021-03-01
公開日:	2018-01-17
識別子（ID）:	2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide

GYR

GYR
表記:	{(2R)-1-[4-({3-METHYL-5-[(PHENYLSULFONYL)METHYL]PHENOXY}METHYL)BENZYL]PYRROLIDIN-2-YL}METHANOL
組成式:	C27 H31 N O4 S
SMILES:	O=S(=O)(c1ccccc1)Cc4cc(cc(OCc2ccc(cc2)CN3C(CCC3)CO)c4)C
InChi:	InChI=1S/C27H31NO4S/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3/t25-/m1/s1
別名:	PF-543
定義日:	2014-10-05
最終更新日:	2021-03-01
公開日:	2014-10-15
識別子（ID）:	{(2R)-1-[4-({3-methyl-5-[(phenylsulfonyl)methyl]phenoxy}methyl)benzyl]pyrrolidin-2-yl}methanol

GZR

GZR
表記:	1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
組成式:	C25 H26 F N3 O2
SMILES:	COc1cc(ccc1n2cnc(C)c2)C=C3CCCN([CH](C)c4ccc(F)cc4)C3=O
InChi:	InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
別名:	E-2012
定義日:	2020-10-15
最終更新日:	2021-03-01
公開日:	2021-01-27
識別子（ID）:	1-[(1~{S})-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one

1MM

1MM
表記:	METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
組成式:	C14 H15 N5 O6 S
SMILES:	O=C(OC)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
InChi:	InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
別名:	METSULFURON METHYL
定義日:	2004-07-01
最終更新日:	2021-03-01
識別子（ID）:	methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoate

0UT

0UT
表記:	hydroxy(diphenyl)acetic acid
組成式:	C14 H12 O3
SMILES:	O=C(O)C(O)(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
別名:	Benzillic acid
定義日:	2012-06-22
最終更新日:	2021-03-01
公開日:	2013-10-30
識別子（ID）:	hydroxy(diphenyl)acetic acid

0V4

0V4
表記:	(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside
組成式:	C27 H44 O8
SMILES:	O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1
別名:	16-O-Me-Fusicoccin H
定義日:	2012-06-28
最終更新日:	2021-03-01
公開日:	2013-05-08
識別子（ID）:	(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside

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