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MOD
MOD
表記:L-METHIONYL ADENYLATE
組成式:C15 H27 N6 O7 P S
SMILES:O=P(O)(OCC(N)CCSC)OCC3OC(N2C=NC1=C(N)NC=NC12)C(O)C3O
InChi:InChI=1S/C15H27N6O7PS/c1-30-3-2-8(16)4-26-29(24,25)27-5-9-11(22)12(23)15(28-9)21-7-20-10-13(17)18-6-19-14(10)21/h6-9,11-12,14-15,22-23H,2-5,16-17H2,1H3,(H,18,19)(H,24,25)/t8-,9+,11+,12+,14?,15+/m0/s1
定義日:2003-05-30
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-{[(2S)-2-amino-4-(methylsulfanyl)butyl]oxy}(hydroxy)phosphoryl]adenosine
MOE
MOE
表記:METHOXY-ETHOXYL
組成式:C3 H7 O2
SMILES:[O-]CCOC
InChi:InChI=1S/C3H7O2/c1-5-3-2-4/h2-3H2,1H3/q-1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-methoxyethanolate
MOF
MOF
表記:MOMETASONE FUROATE
組成式:C27 H30 Cl2 O6
SMILES:ClCC(=O)C5(OC(=O)c1occc1)C4(C)CC(O)C3(Cl)C2(C=CC(=O)C=C2CCC3C4CC5C)C
InChi:InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
定義日:2004-03-26
最終更新日:2011-06-04
識別子（ID）:(9beta,10alpha,11alpha,14beta,16alpha,17alpha)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
BTD
BTD
表記:5-BROMOTHIENYLDEOXYURIDINE
組成式:C13 H13 Br N2 O5 S
SMILES:Brc3sc(C=1C(=O)NC(=O)N(C=1)C2OC(CO)C(O)C2)cc3
InChi:InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5-(5-bromothiophen-2-yl)-2'-deoxyuridine
MOJ
MOJ
表記:(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
組成式:C20 H18 F N5 O
SMILES:Fc2ccc(c(c1cccnc1)c2)C3Cc4nc(nc(c4C(=NO)C3)C)N
InChi:InChI=1S/C20H18FN5O/c1-11-19-17(25-20(22)24-11)7-13(8-18(19)26-27)15-5-4-14(21)9-16(15)12-3-2-6-23-10-12/h2-6,9-10,13,27H,7-8H2,1H3,(H2,22,24,25)/b26-18+/t13-/m0/s1
定義日:2009-01-13
最終更新日:2011-06-04
識別子（ID）:(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
MOM
MOM
表記:HYDROXY(DIOXO)MOLYBDENUM
組成式:H Mo O3
SMILES:O=[Mo](=O)O
InChi:InChI=1S/Mo.H2O.2O/h
定義日:2005-11-22
最終更新日:2011-06-04
識別子（ID）:hydroxy(dioxo)molybdenum
MON
MON
表記:4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL
組成式:C24 H29 Cl N6 O S
SMILES:Clc1ccc(cc1)CCCSc2nc(nc(n2)NCCc3ccc(O)cc3)N4CCNCC4
InChi:InChI=1S/C24H29ClN6OS/c25-20-7-3-18(4-8-20)2-1-17-33-24-29-22(27-12-11-19-5-9-21(32)10-6-19)28-23(30-24)31-15-13-26-14-16-31/h3-10,26,32H,1-2,11-17H2,(H,27,28,29,30)
定義日:2002-12-10
最終更新日:2011-06-04
識別子（ID）:4-{2-[(4-{[3-(4-chlorophenyl)propyl]sulfanyl}-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]ethyl}phenol
MOP
MOP
表記:4-METHYLPENTANAL
組成式:C6 H12 O
SMILES:O=CCCC(C)C
InChi:InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-methylpentanal
MOR
MOR
表記:morpholine-4-carboxylic acid
組成式:C5 H9 N O3
SMILES:O=C(O)N1CCOCC1
InChi:InChI=1S/C5H9NO3/c7-5(8)6-1-3-9-4-2-6/h1-4H2,(H,7,8)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:morpholine-4-carboxylic acid
BTM
BTM
表記:N-benzyl-N,N-diethylethanaminium
組成式:C13 H22 N
SMILES:c1ccccc1C[N+](CC)(CC)CC
InChi:InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
定義日:2008-03-06
最終更新日:2011-06-04
識別子（ID）:N-benzyl-N,N-diethylethanaminium
MOS
MOS
表記:DIOXOTHIOMOLYBDENUM(VI) ION
組成式:H Mo O2 S
SMILES:O=[Mo](=O)S
InChi:InChI=1S/Mo.2O.H2S/h
定義日:2000-08-31
最終更新日:2011-06-04
識別子（ID）:dioxo(sulfanyl)molybdenum
MOT
MOT
表記:N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE
組成式:C20 H22 N6 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2c3c(nc(nc3oc2)N)N)CCC(=O)O
InChi:InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-[(4-{[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
BTO
BTO
表記:4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
組成式:C12 H11 N3 O5
SMILES:[O-][N+](=O)c1cccc(c1)c2nc(on2)CCCC(=O)O
InChi:InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)
定義日:2006-10-04
最終更新日:2011-06-04
識別子（ID）:4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
BTP
BTP
表記:2-THIOMETHYL-3-PHENYLPROPANOIC ACID
組成式:C10 H12 O2 S
SMILES:O=C(O)C(CS)Cc1ccccc1
InChi:InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2S)-2-benzyl-3-sulfanylpropanoic acid
MOW
MOW
表記:Oxo(sulfanyl)molybdenum(IV) ION
組成式:H Mo O S
SMILES:O=[Mo]S
InChi:InChI=1S/Mo.O.H2S/h
定義日:2008-09-24
最終更新日:2011-06-04
識別子（ID）:oxo(sulfanyl)molybdenum
BTS
BTS
表記:3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID
組成式:C10 H11 N O3 S3
SMILES:O=S(=O)(O)CCCSc1nc2ccccc2s1
InChi:InChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)
定義日:2004-03-29
最終更新日:2011-06-04
識別子（ID）:3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
MOY
MOY
表記:[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE
組成式:C19 H18 N2 O2 S
SMILES:S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(=O)c3ccccc3
InChi:InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1
定義日:2006-09-22
最終更新日:2011-06-04
識別子（ID）:[(4R)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
BTT
BTT
表記:BENZENE-1,2,4,5-TETROL
組成式:C6 H6 O4
SMILES:Oc1c(O)cc(O)c(O)c1
InChi:InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
定義日:2004-07-30
最終更新日:2011-06-04
識別子（ID）:benzene-1,2,4,5-tetrol
BTY
BTY
表記:4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one
組成式:C6 H7 N5 O
SMILES:O=C1N=C(n2nc(cc2N1)C)N
InChi:InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12)
定義日:2007-09-12
最終更新日:2011-06-04
識別子（ID）:4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one
BTZ
BTZ
表記:N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
組成式:C12 H16 N6 O S2
SMILES:O=C(c1nc(sc1)c2ncsc2)NCCCCNC(=[N@H])N
InChi:InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)
定義日:2007-09-10
最終更新日:2011-06-04
識別子（ID）:N-(4-carbamimidamidobutyl)-2,4'-bi-1,3-thiazole-4-carboxamide
MP5
MP5
表記:(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE
組成式:C6 H10 N3 O4 P
SMILES:O=P(O)(O)OCc1cnc(nc1N)C
InChi:InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
定義日:2003-12-18
最終更新日:2011-06-04
識別子（ID）:(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
MP6
MP6
表記:4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
組成式:C26 H29 N5 O
SMILES:O=C4N=CC(=C/CC1CC1)c5nc(c3ccc(c2cnnc2)cc3c45)NC(C)C(C)(C)C
InChi:InChI=1S/C26H29N5O/c1-15(26(2,3)4)30-24-20-10-9-17(19-13-28-29-14-19)11-21(20)22-23(31-24)18(12-27-25(22)32)8-7-16-5-6-16/h8-16H,5-7H2,1-4H3,(H,28,29)(H,30,31)/b18-8+/t15-/m1/s1
定義日:2010-06-08
最終更新日:2011-06-04
識別子（ID）:4-(2-cyclopropylethylidene)-6-{[(2R)-3,3-dimethylbutan-2-yl]amino}-9-(1H-pyrazol-4-yl)benzo[c][1,6]naphthyridin-1(4H)-one
BU1
BU1
表記:1,4-BUTANEDIOL
組成式:C4 H10 O2
SMILES:OCCCCO
InChi:InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:butane-1,4-diol
MP7
MP7
表記:1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
組成式:C28 H22 F2 N4 O4
SMILES:O=C5Nc4ccc(OCC(c1ccccc1)NC(=O)C2=CC=CN(C2=O)Cc3cc(F)c(F)cc3)cc4N5
InChi:InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1
定義日:2010-06-08
最終更新日:2011-06-04
識別子（ID）:1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide
BU3
BU3
表記:(R,R)-2,3-BUTANEDIOL
組成式:C4 H10 O2
SMILES:OC(C)C(O)C
InChi:InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
定義日:2004-03-17
最終更新日:2011-06-04
識別子（ID）:(2R,3R)-butane-2,3-diol

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