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MEI
MEI
表記:(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID
組成式:C16 H28 O3
SMILES:O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C
InChi:InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
別名:METOPRENIC ACID
定義日:2003-08-26
最終更新日:2021-03-01
識別子（ID）:(2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
MEM
MEM
表記:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
組成式:C17 H25 N3 O5 S
SMILES:O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3
InChi:InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
別名:Meropenem (closed form)
定義日:2012-04-30
最終更新日:2021-03-01
識別子（ID）:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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
MF4
MF4
表記:TETRAFLUOROMAGNESATE(2-)
組成式:F4 Mg
SMILES:F[Mg-2](F)(F)F
InChi:InChI=1S/4FH.Mg/h4*1H
別名:MAGNESIUMTETRAFLUORIDE
定義日:2004-09-05
最終更新日:2021-03-01
識別子（ID）:tetrafluoromagnesate(2-)
MF5
MF5
表記:1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
組成式:C14 H10 F5 N2 O
SMILES:Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C
InChi:InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+
別名:methyl2-(pentafluorobenzyloxyimino)pyridinium
定義日:2012-07-04
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium
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)
216
216
表記:[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
組成式:C25 H30 N2 O3
SMILES:O=C1N(C(C(O)C(O)C(N1C/C=C)Cc2ccccc2)Cc3ccccc3)CC=C
InChi:InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1
別名:XK216
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-diprop-2-en-1-yl-1,3-diazepan-2-one
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
MFX
MFX
表記:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C21 H24 F N3 O4
SMILES:Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5
InChi:InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
別名:moxifloxacin
定義日:2009-01-15
最終更新日:2021-03-01
識別子（ID）:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
MG0
MG0
表記:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
組成式:C18 H18 F6 N4 O3 S
SMILES:O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChi:InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
別名:AMG-5980
定義日:2013-10-02
最終更新日:2021-03-01
公開日:2014-05-07
識別子（ID）:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
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
MGD
MGD
表記:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
組成式:C20 H26 N10 O13 P2 S2
SMILES:O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
別名:MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
MGJ
MGJ
表記:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
組成式:C20 H27 N5 O4
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2
InChi:InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1
別名:[{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
定義日:2011-04-19
最終更新日:2021-03-01
公開日:2013-08-28
識別子（ID）:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
MGK
MGK
表記:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
組成式:C20 H26 N4 O5
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2
InChi:InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1
別名:((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester
定義日:2011-04-19
最終更新日:2021-03-01
公開日:2013-04-03
識別子（ID）:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
0VT
0VT
表記:6-methylhept-5-en-2-one
組成式:C8 H14 O
SMILES:O=C(C)CCC=C(/C)C
InChi:InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
別名:6-methyl-5-hepten-2-one
定義日:2012-07-13
最終更新日:2021-03-01
公開日:2012-12-28
識別子（ID）:6-methylhept-5-en-2-one
MGZ
MGZ
表記:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
組成式:C15 H10 Cl F3 O3
SMILES:Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1
別名:Metaglidasen
定義日:2014-04-08
最終更新日:2021-03-01
公開日:2015-02-11
識別子（ID）:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
0W3
0W3
表記:(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
組成式:C41 H72 O9
SMILES:O=C(O)CCC(C)CC(C)CC(C(=O)CC(=O)C(C)CC(C)C/C=CC(C)C(O)C(C)C(O)CC2OC(C1OC(CC1)(C(O)C)C)(C)CC2)C
InChi:InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,25-33,36-37,39,42,45,48H,12,14-24H2,1-10H3,(H,46,47)/b13-11-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
別名:Ionomycin
定義日:2012-07-17
最終更新日:2021-03-01
公開日:2013-03-20
識別子（ID）:(4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid
MHA
MHA
表記:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID
組成式:C6 H10 N2 O5
SMILES:O=C(O)CN(CC(=O)N)CC(=O)O
InChi:InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
別名:N-(2-ACETAMIDO)IMINODIACETIC ACID
定義日:2002-06-18
最終更新日:2021-03-01
識別子（ID）:2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid
0WM
0WM
表記:(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
組成式:C24 H25 Cl F N5 O3
SMILES:Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C
InChi:InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
別名:Afatinib
定義日:2012-07-26
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
MID
MID
表記:1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine
組成式:C27 H31 N5 O4 S
SMILES:O=C(N1CCCCC1)C(NC(=O)CNS(=O)(=O)c3cc2ccccc2cc3)Cc4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
別名:NAPAP
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine
MIG
MIG
表記:(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
組成式:C8 H17 N O5
SMILES:OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
別名:Miglitol
定義日:2010-01-14
最終更新日:2021-03-01
識別子（ID）:(1R,2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
0XE
0XE
表記:5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
組成式:C21 H18 O11
SMILES:O=C(O)C4OC(Oc3c(O)c(O)c2c(OC(c1ccccc1)=CC2=O)c3)C(O)C(O)C4O
InChi:InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
別名:Baicalin
定義日:2012-09-14
最終更新日:2021-03-01
公開日:2012-11-23
識別子（ID）:5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
0XR
0XR
表記:ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
組成式:C11 H12 O4
SMILES:O=C(OCC)C=Cc1cc(O)c(O)cc1
InChi:InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
別名:ethyl caffeate
定義日:2012-08-31
最終更新日:2021-03-01
公開日:2012-10-19
識別子（ID）:ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
MIU
MIU
表記:N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
組成式:C20 H32 F3 N7 O3 S
SMILES:FC(F)(F)c1cc(ccc1)S(=O)(=O)NC(C(=O)N2CCN(CCCN)CC2)CCC/N=C(N)N
InChi:InChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1
別名:L-ARGININE TEMPLATE INHIBITOR CS107
定義日:2004-09-02
最終更新日:2021-03-01
識別子（ID）:N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide
0YR
0YR
表記:(2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide
組成式:C5 H11 N O6
SMILES:O=C(NO)C(O)C(O)C(O)CO
InChi:InChI=1S/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3-,4-/m1/s1
別名:D-ribonohydroxamate
定義日:2012-09-17
最終更新日:2021-03-01
公開日:2012-10-26
識別子（ID）:(2R,3R,4R)-N,2,3,4,5-pentahydroxypentanamide (non-preferred name)

238895

件を2025-07-16に公開中

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