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CRM
CRM
表記:3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
組成式:C14 H18 N4 O9
SMILES:O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
別名:CARBOXYETHYLLUMAZINE
定義日:2002-02-13
最終更新日:2021-03-01
識別子（ID）:1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2H)-yl]-1-deoxy-D-ribitol
CRN
CRN
表記:N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE
組成式:C4 H9 N3 O2
SMILES:O=C(O)CN(C(=[N@H])N)C
InChi:InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
別名:CREATINE
定義日:2003-12-30
最終更新日:2021-03-01
識別子（ID）:N-carbamimidoyl-N-methylglycine
CS2
CS2
表記:D-MANNONIC ACID
組成式:C6 H12 O7
SMILES:O=C(O)C(O)C(O)C(O)C(O)CO
InChi:InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1
別名:D-MANNONATE
定義日:2007-07-18
最終更新日:2021-03-01
識別子（ID）:D-mannonic acid
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
CSL
CSL
表記:(D)-2'-METHYLSELENYL-2'-DEOXYCYTIDINE-5'-PHOSPHATE
組成式:C10 H16 N3 O7 P Se
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2[Se]C)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
別名:(D)-2'-DEOXY-2'-SE-METHYLCYTIDINE-5'-PHOSPHATE
定義日:2005-02-15
最終更新日:2021-03-01
識別子（ID）:2'-Se-methyl-2'-selenocytidine 5'-(dihydrogen phosphate)
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
CTM
CTM
表記:(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid
組成式:C22 H22 Cl N O4 S
SMILES:O=C(O)C(OCC)Cc3c(cc(OCc1nc(sc1)c2ccc(Cl)cc2)cc3)C
InChi:InChI=1S/C22H22ClNO4S/c1-3-27-20(22(25)26)11-16-6-9-19(10-14(16)2)28-12-18-13-29-21(24-18)15-4-7-17(23)8-5-15/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26)/t20-/m0/s1
別名:3-{4-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-2-methyl-phenyl}-2-(S)-ethoxy-propionic acid
定義日:2008-12-02
最終更新日:2021-03-01
識別子（ID）:(2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid
CTN
CTN
表記:4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
組成式:C9 H13 N3 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
別名:CYTIDINE
定義日:2003-05-20
最終更新日:2021-03-01
識別子（ID）:cytidine
CTV
CTV
表記:(2Z)-3,7-dimethylocta-2,6-dienenitrile
組成式:C10 H15 N
SMILES:N#CC=C(/CC/C=C(/C)C)C
InChi:InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
別名:citralva
定義日:2011-05-17
最終更新日:2021-03-01
識別子（ID）:(2Z)-3,7-dimethylocta-2,6-dienenitrile
CTX
CTX
表記:(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE
組成式:C26 H29 N O
SMILES:O(c1ccc(cc1)/C(c2ccccc2)=C(c3ccccc3)CC)CCN(C)C
InChi:InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
別名:TRANS FORM OF TAMOXIFEN
定義日:2005-01-14
最終更新日:2021-03-01
識別子（ID）:2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
MKS
MKS
表記:1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
組成式:C24 H26 O6
SMILES:CC(=C/Cc3c2C(c1c(c(CC=C(C)C)c(O)cc1Oc2cc(O)c3OC)O)=O)C
InChi:InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
別名:alpha-Mangostin
定義日:2015-02-26
最終更新日:2021-03-01
公開日:2015-09-09
識別子（ID）:1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
MKU
MKU
表記:5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one
組成式:C24 H26 O6
SMILES:CC(=C/Cc4c3C(c2c(c1CCC(C)(C)Oc1cc2Oc3cc(O)c4OC)O)=O)C
InChi:InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
別名:3-isomangostin
定義日:2015-03-02
最終更新日:2021-03-01
公開日:2015-09-09
識別子（ID）:5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one
ML4
ML4
表記:4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine
組成式:C27 H26 N4 O2
SMILES:O=C(O)C(N)Cc4ccc(c1ncc(nc1)NCc2ccccc2c3ccccc3C)cc4
InChi:InChI=1S/C27H26N4O2/c1-18-6-2-4-8-22(18)23-9-5-3-7-21(23)15-30-26-17-29-25(16-31-26)20-12-10-19(11-13-20)14-24(28)27(32)33/h2-13,16-17,24H,14-15,28H2,1H3,(H,30,31)(H,32,33)/t24-/m0/s1
別名:(S)-2-Amino-3-(4-{5-[(2'-methyl-biphenyl-2-ylmethyl)-amino]-pyrazin-2-yl}-phenyl)-propionic acid
定義日:2009-05-31
最終更新日:2021-03-01
識別子（ID）:4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine
CVD
CVD
表記:(2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL
組成式:C24 H26 N2 O4
SMILES:O(c4ccccc4OCCNCC(O)COc3cccc2c3c1c(cccc1)n2)C
InChi:InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1
別名:CARVEDILOL
定義日:2012-03-12
最終更新日:2021-03-01
識別子（ID）:(2S)-1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol
CVM
CVM
表記:CYMAL-4
組成式:C22 H40 O11
SMILES:O(CCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
別名:4-CYCLOHEXYLBUTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
定義日:2009-05-11
最終更新日:2021-03-01
識別子（ID）:4-cyclohexylbutyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
MLO
MLO
表記:5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
組成式:C18 H18 O2
SMILES:Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C
InChi:InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
別名:magnolol
定義日:2011-03-23
最終更新日:2021-03-01
識別子（ID）:5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
MM6
MM6
表記:NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE)
組成式:C10 H20 N4 Ni
SMILES:N12CCCN3CCN4CCCN(CC1)[Ni]234
InChi:InChI=1S/C10H20N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1
別名:NICKEL(II)(CYCLAM)
定義日:2006-06-19
最終更新日:2021-03-01
識別子（ID）:[1,4,8,11-tetraazacyclotetradecanato(4-)-kappa~4~N~1~,N~4~,N~8~,N~11~]nickel
CWB
CWB
表記:1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
組成式:C18 H24 N4 O
SMILES:O=C(c2nn(c1ccccc12)C)NC4CC3N(C)C(CCC3)C4
InChi:InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14-
別名:GRANISETRON
定義日:2012-10-09
最終更新日:2021-03-01
公開日:2012-12-21
識別子（ID）:1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
CWD
CWD
表記:3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
組成式:C7 H8 Cl N3 O4
SMILES:O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O
InChi:InChI=1S/C7H8ClN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
別名:chlorowillardiine
定義日:2011-05-04
最終更新日:2021-03-01
識別子（ID）:3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
MMH
MMH
表記:N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
組成式:C21 H22 N6 O3
SMILES:O=C(Nc1cccc(c1)NC(=O)c3c(nnc3N/N=C/c2ccc(OC)cc2)C)C
InChi:InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+
別名:(E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide
定義日:2008-12-02
最終更新日:2021-03-01
識別子（ID）:N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
MML
MML
表記:1-methyl-4-(1-methylethyl)benzene
組成式:C10 H14
SMILES:c1cc(ccc1C(C)C)C
InChi:InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
別名:p-cymene
定義日:2010-05-06
最終更新日:2021-03-01
識別子（ID）:1-methyl-4-(propan-2-yl)benzene
MMN
MMN
表記:5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL
組成式:C8 H19 N O6
SMILES:OC(C(NC(O)C)CO)C(O)C(O)CO
InChi:InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1
別名:N-ACETYLMANNOSAMINITOL
定義日:2004-10-27
最終更新日:2021-03-01
識別子（ID）:2-deoxy-2-{[(1S)-1-hydroxyethyl]amino}-D-mannitol
CWT
CWT
表記:(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
組成式:C15 H17 N3 O3
SMILES:O=C1N(C(=N/C1=Cc2ccc3OCOc3c2)NC(C)C)C
InChi:InChI=1S/C15H17N3O3/c1-9(2)16-15-17-11(14(19)18(15)3)6-10-4-5-12-13(7-10)21-8-20-12/h4-7,9H,8H2,1-3H3,(H,16,17)/b11-6-
別名:Leucettine L4
定義日:2012-08-22
最終更新日:2021-03-01
公開日:2013-01-25
識別子（ID）:(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)-3,5-dihydro-4H-imidazol-4-one
MMZ
MMZ
表記:1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
組成式:C4 H6 N2 S
SMILES:S=C1N(C=CN1)C
InChi:InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
別名:METHIMAZOLE
定義日:2006-05-04
最終更新日:2021-03-01
識別子（ID）:1-methyl-1,3-dihydro-2H-imidazole-2-thione

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