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FX3
FX3
表記:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
組成式:C15 H18 O8
SMILES:O=C(OCC1OC(O)C(O)C1O)C=Cc2ccc(O)c(OC)c2
InChi:InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1
定義日:2007-11-12
最終更新日:2011-06-04
識別子（ID）:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
FYA
FYA
表記:ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]
組成式:C19 H25 N6 O7 P
SMILES:O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:InChI=1S/C19H25N6O7P/c20-12(6-11-4-2-1-3-5-11)7-30-33(28,29)31-8-13-15(26)16(27)19(32-13)25-10-24-14-17(21)22-9-23-18(14)25/h1-5,9-10,12-13,15-16,19,26-27H,6-8,20H2,(H,28,29)(H2,21,22,23)/t12-,13+,15+,16+,19+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(2S)-2-amino-3-phenylpropyl]oxy}(hydroxy)phosphoryl]adenosine
FYI
FYI
表記:N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
組成式:C22 H34 N5 O9 P
SMILES:O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC(=O)N
InChi:InChI=1S/C22H34N5O9P/c1-4-12(2)19(22(32)26-16(20(24)30)11-17(23)28)27-21(31)14(10-18(29)25-3)9-13-5-7-15(8-6-13)36-37(33,34)35/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H2,23,28)(H2,24,30)(H,25,29)(H,26,32)(H,27,31)(H2,33,34,35)/t12-,14-,16-,19-/m0/s1
定義日:2009-09-28
最終更新日:2011-06-04
識別子（ID）:N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
FYN
FYN
表記:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE
組成式:C22 H36 N7 O17 P3 S
SMILES:O=CSCCNC(=O)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/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1
定義日:2007-02-26
最終更新日:2011-06-04
識別子（ID）:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate (non-preferred name)
FYO
FYO
表記:4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
組成式:C13 H8 N6 O3
SMILES:O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3
InChi:InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19)
定義日:2010-08-23
最終更新日:2011-06-04
識別子（ID）:4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
ERD
ERD
表記:(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE
組成式:C15 H12 O6
SMILES:O=C2c3c(OC(c1ccc(O)c(O)c1)C2)cc(O)cc3O
InChi:InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
定義日:2006-10-27
最終更新日:2011-06-04
識別子（ID）:(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
ES0
ES0
表記:2-amino-1H-benzimidazol-7-ol
組成式:C7 H7 N3 O
SMILES:Nc1[nH]c2c(O)cccc2n1
InChi:InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:2-azanyl-3H-benzimidazol-4-ol
ES1
ES1
表記:quinolin-4-ol
組成式:C9 H7 N O
SMILES:Oc1ccnc2ccccc12
InChi:InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
定義日:2009-12-02
最終更新日:2011-06-04
識別子（ID）:quinolin-4-ol
ES2
ES2
表記:6-chloro-1,3-dihydro-2H-indol-2-one
組成式:C8 H6 Cl N O
SMILES:Clc1ccc2CC(=O)Nc2c1
InChi:InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)
定義日:2009-12-02
最終更新日:2011-06-04
識別子（ID）:6-chloro-1,3-dihydroindol-2-one
ES3
ES3
表記:4-bromo-1H-imidazole
組成式:C3 H3 Br N2
SMILES:Brc1c[nH]cn1
InChi:InChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
定義日:2009-12-02
最終更新日:2011-06-04
識別子（ID）:4-bromo-1H-imidazole
ES4
ES4
表記:6-chloro-9H-purine
組成式:C5 H3 Cl N4
SMILES:Clc1ncnc2[nH]cnc12
InChi:InChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
定義日:2009-12-02
最終更新日:2011-06-04
識別子（ID）:6-chloro-9H-purine
ES5
ES5
表記:quinolin-6-amine
組成式:C9 H8 N2
SMILES:Nc1ccc2ncccc2c1
InChi:InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H,10H2
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:quinolin-6-amine
ES6
ES6
表記:2-oxo-1,2-dihydropyridine-3-carboxylic acid
組成式:C6 H5 N O3
SMILES:OC(=O)C1=CC=CNC1=O
InChi:InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:2-oxo-1H-pyridine-3-carboxylic acid
ES9
ES9
表記:5-chloro-1H-benzimidazole
組成式:C7 H5 Cl N2
SMILES:Clc1ccc2[nH]cnc2c1
InChi:InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:5-chloro-1H-benzimidazole
ESG
ESG
表記:L-gamma-glutamyl-S-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine
組成式:C16 H24 N4 O8 S
SMILES:CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O
InChi:InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
定義日:2010-01-18
最終更新日:2011-06-04
識別子（ID）:2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
ESI
ESI
表記:4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE
組成式:C9 H8 I N2 S
SMILES:Ic1cccc2sc(cc12)C(=[NH2+])N
InChi:InChI=1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(4-iodo-1-benzothiophen-2-yl)methaniminium
ESO
ESO
表記:O3-PHOSPHONOESTRONE
組成式:C18 H23 O5 P
SMILES:O=P(O)(O)Oc1cc4c(cc1)C3CCC2(C(=O)CCC2C3CC4)C
InChi:InChI=1S/C18H23O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,18+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:17-oxoestra-1,3,5(10)-trien-3-yl dihydrogen phosphate
ESP
ESP
表記:THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE
組成式:C8 H8 N3 S
SMILES:n1cccc2c1sc(c2)C(=[NH2+])N
InChi:InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(thieno[2,3-b]pyridin-2-yl)methaniminium
EST
EST
表記:ESTRADIOL
組成式:C18 H24 O2
SMILES:Oc1cc4c(cc1)C3CCC2(C(CCC2O)C3CC4)C
InChi:InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol
ESX
ESX
表記:BENZO[B]THIOPHENE-2-CARBOXAMIDINE
組成式:C9 H9 N2 S
SMILES:s2c1ccccc1cc2C(=[NH2+])N
InChi:InChI=1S/C9H8N2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H3,10,11)/p+1
定義日:2000-01-14
最終更新日:2011-06-04
識別子（ID）:amino(1-benzothiophen-2-yl)methaniminium
ESY
ESY
表記:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
組成式:C32 H43 N3 O8
SMILES:O=CC(C(C)CC)C(O)C(=O)NCCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC(=O)OCc2ccccc2)C
InChi:InChI=1S/C32H43N3O8/c1-4-22(2)26(19-36)28(37)30(39)33-18-12-11-17-27(31(40)42-20-24-13-7-5-8-14-24)35-29(38)23(3)34-32(41)43-21-25-15-9-6-10-16-25/h5-10,13-16,19,22-23,26-28,37H,4,11-12,17-18,20-21H2,1-3H3,(H,33,39)(H,34,41)(H,35,38)/t22-,23-,26-,27-,28+/m0/s1
定義日:2006-02-06
最終更新日:2011-06-04
識別子（ID）:benzyl N-[(benzyloxy)carbonyl]-L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-lysinate
ET
ET
表記:ETHIDIUM
組成式:C21 H20 N3
SMILES:c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CC)N
InChi:InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3,8-diamino-5-ethyl-6-phenylphenanthridinium
ET2
ET2
表記:6-fluoro-1H-benzimidazol-2-amine
組成式:C7 H6 F N3
SMILES:Nc1[nH]c2cc(F)ccc2n1
InChi:InChI=1S/C7H6FN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
定義日:2009-12-04
最終更新日:2011-06-04
識別子（ID）:6-fluoro-1H-benzimidazol-2-amine
ETG
ETG
表記:(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
組成式:C29 H41 N3 O5 S
SMILES:O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOCCOCCNC(=O)C35CC4CC(CC(C3)C4)C5
InChi:InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29-
定義日:2010-10-12
最終更新日:2011-06-04
識別子（ID）:(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
ETP
ETP
表記:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID
組成式:C16 H14 B N O6 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3
InChi:InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H
定義日:2000-12-07
最終更新日:2011-06-04
識別子（ID）:[3-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)phenyl]boronic acid

223532

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