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I7C
I7C
表記:4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE
組成式:C7 H8 F3 N3 O4 S2
SMILES:O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N
InChi:InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
定義日:2007-05-02
最終更新日:2011-06-04
識別子（ID）:4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
IAD
IAD
表記:N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID
組成式:C14 H14 N2 O5
SMILES:O=C(O)CC(C(=O)O)NC(=O)Cc2c1ccccc1nc2
InChi:InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1
定義日:2001-10-16
最終更新日:2011-06-04
識別子（ID）:N-(1H-indol-3-ylacetyl)-L-aspartic acid
IAG
IAG
表記:N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
組成式:C12 H12 N2 O3
SMILES:O=C(O)CNC(=O)Cc2c1ccccc1nc2
InChi:InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)
定義日:2001-10-22
最終更新日:2011-06-04
識別子（ID）:N-(1H-indol-3-ylacetyl)glycine
IAP
IAP
表記:4-IODO-ACETAMIDO PHENYLBORONIC ACID
組成式:C8 H9 B I N O3
SMILES:ICC(=O)Nc1cc(B(O)O)ccc1
InChi:InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
定義日:2001-10-29
最終更新日:2011-06-04
識別子（ID）:{3-[(iodoacetyl)amino]phenyl}boronic acid
IBB
IBB
表記:5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE
組成式:C23 H20 N6 O
SMILES:Oc1ccc(cc1)c3nc2ccc(cc2n3)c4nc5c(n4)cc(cc5)C6NCCN6
InChi:InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-(6-imidazolidin-2-yl-1H,3'H-2,5'-bibenzimidazol-2'-yl)phenol
IBG
IBG
表記:GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE
組成式:C17 H22 I N3 O6 S
SMILES:Ic1ccccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChi:InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
定義日:2002-08-06
最終更新日:2011-06-04
識別子（ID）:L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine
IBR
IBR
表記:(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE
組成式:C11 H12 Br N O3
SMILES:BrCCOC(=O)Cc1c(cc(N)cc1)C=O
InChi:InChI=1S/C11H12BrNO3/c12-3-4-16-11(15)6-8-1-2-10(13)5-9(8)7-14/h1-2,5,7H,3-4,6,13H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-bromoethyl (4-amino-2-formylphenyl)acetate
IBS
IBS
表記:L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE
組成式:C9 H19 O17 P3
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(=O)CO)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1
定義日:2001-03-12
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3S,4R,5S,6S)-3,4,6-trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}cyclohexane-1,2-diyl bis[dihydrogen (phosphate)]
IBZ
IBZ
表記:2-IODOBENZYLTHIO GROUP
組成式:C7 H7 I S
SMILES:Ic1ccccc1CS
InChi:InChI=1S/C7H7IS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2-iodophenyl)methanethiol
IC
IC
表記:ISOCYTIDINE-5'-MONOPHOSPHATE
組成式:C9 H14 N3 O8 P
SMILES:O=C1N=C(N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:2000-11-07
最終更新日:2011-06-04
識別子（ID）:2-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-4(1H)-one
IC3
IC3
表記:[2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
組成式:C11 H7 F3 N5 O2
SMILES:FC(F)(F)c2cc(c(n1ncc(C#N)c1N)cc2)[N+](=O)O
InChi:InChI=1S/C11H7F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2,(H,20,21)/q+1
定義日:2008-12-12
最終更新日:2011-06-04
識別子（ID）:[2-(5-amino-4-cyano-1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl](hydroxy)oxoammonium
ICC
ICC
表記:azepan-2-one
組成式:C6 H11 N O
SMILES:O=C1NCCCCC1
InChi:InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
定義日:2008-07-29
最終更新日:2011-06-04
識別子（ID）:azepan-2-one
ICL
ICL
表記:[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
組成式:C17 H23 Cl N2 O4
SMILES:O=Cc1c(cccc1Cl)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C
InChi:InChI=1S/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:tert-butyl {(1S)-1-[(3-chloro-2-formylphenyl)carbamoyl]-2-methylpropyl}carbamate
ICO
ICO
表記:1H-INDOLE-3-CARBOXYLIC ACID
組成式:C9 H7 N O2
SMILES:O=C(O)c2c1ccccc1nc2
InChi:InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
定義日:2005-11-15
最終更新日:2011-06-04
識別子（ID）:1H-indole-3-carboxylic acid
ICR
ICR
表記:(4R)-5-IMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
組成式:C9 H14 N3 O9 P
SMILES:O=C(O)C1N=CN(C1=[N@H])C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-6,8,10,13-14H,1H2,(H,15,16)(H2,17,18,19)/b10-7-/t3-,4-,5-,6-,8-/m1/s1
定義日:2006-02-09
最終更新日:2011-06-04
識別子（ID）:(4R,5Z)-5-imino-1-(5-O-phosphono-beta-D-ribofuranosyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid
ICX
ICX
表記:methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
組成式:C23 H25 I N2 O4
SMILES:Ic1ccc(cc1)Cc2ccc(C(=O)NC=C/CCCC(=O)NCC(=O)OC)cc2
InChi:InChI=1S/C23H25IN2O4/c1-30-22(28)16-26-21(27)5-3-2-4-14-25-23(29)19-10-6-17(7-11-19)15-18-8-12-20(24)13-9-18/h4,6-14H,2-3,5,15-16H2,1H3,(H,25,29)(H,26,27)/b14-4-
定義日:2008-04-25
最終更新日:2011-06-04
識別子（ID）:methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-5-enoyl]glycinate
ID2
ID2
表記:5-IODODEOXYURIDINE
組成式:C9 H11 I N2 O5
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)CO
InChi:InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5-iodouridine
IDH
IDH
表記:(5S)-5-IODODIHYDRO-2,4(1H,3H)-PYRIMIDINEDIONE
組成式:C4 H5 I N2 O2
SMILES:O=C1NC(=O)NCC1I
InChi:InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
定義日:2002-01-15
最終更新日:2011-06-04
識別子（ID）:(5S)-5-iododihydropyrimidine-2,4(1H,3H)-dione
IDI
IDI
表記:7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
組成式:C9 H10 I N
SMILES:Ic1ccc2c(c1)CNCC2
InChi:InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
定義日:2002-12-02
最終更新日:2011-06-04
識別子（ID）:7-iodo-1,2,3,4-tetrahydroisoquinoline
IDM
IDM
表記:INDOLINE
組成式:C8 H9 N
SMILES:c1cccc2c1CCN2
InChi:InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2,3-dihydro-1H-indole
IDP
IDP
表記:INOSINE-5'-DIPHOSPHATE
組成式:C10 H14 N4 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O
InChi:InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:inosine 5'-(trihydrogen diphosphate)
IDZ
IDZ
表記:3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
組成式:C14 H10 N4
SMILES:n2c(c1ccccc1n2)c3nc4ccccc4n3
InChi:InChI=1S/C14H10N4/c1-2-6-10-9(5-1)13(18-17-10)14-15-11-7-3-4-8-12(11)16-14/h1-8H,(H,15,16)(H,17,18)
定義日:2005-10-10
最終更新日:2011-06-04
識別子（ID）:3-(1H-benzimidazol-2-yl)-1H-indazole
IET
IET
表記:1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA
組成式:C16 H12 Cl2 N4 S
SMILES:Clc1cccc(Cl)c1CC(=[N@H])NC(=S)Nc2ccc(C#N)cc2
InChi:InChI=1S/C16H12Cl2N4S/c17-13-2-1-3-14(18)12(13)8-15(20)22-16(23)21-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H3,20,21,22,23)
定義日:2001-12-03
最終更新日:2011-06-04
識別子（ID）:N-[(4-cyanophenyl)carbamothioyl]-2-(2,6-dichlorophenyl)ethanimidamide
IFB
IFB
表記:N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE
組成式:C16 H12 F2 I N O4
SMILES:Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O
InChi:InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22)
定義日:2007-05-09
最終更新日:2011-06-04
識別子（ID）:N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine
IG
IG
表記:ISOGUANOSINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O8 P
SMILES:O=C3N=C1C(N=CN1C2OC(C(O)C2O)COP(=O)(O)O)=C(N)N3
InChi:InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
定義日:2000-11-07
最終更新日:2011-06-04
識別子（ID）:2-oxoadenosine 5'-(dihydrogen phosphate)

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