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HUI
HUI
表記:(2S)-2-methyl-3-oxidanyl-propanoic acid
組成式:C4 H8 O3
SMILES:C[CH](CO)C(O)=O
InChi:InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
別名:(S)-3-hydroxyisobutyric acid
定義日:2017-08-29
最終更新日:2020-06-17
公開日:2018-07-11
識別子（ID）:(2~{S})-2-methyl-3-oxidanyl-propanoic acid
HUL
HUL
表記:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
組成式:C16 H12 O6
SMILES:O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2
InChi:InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
別名:Hispidulin
定義日:2015-01-08
最終更新日:2020-06-17
公開日:2015-08-26
識別子（ID）:5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
HVG
HVG
表記:4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
組成式:C10 H9 N O6
SMILES:C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N
InChi:InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
別名:(S)-3,4-Dicarboxyphenylglycine (DCPG)
定義日:2018-07-24
最終更新日:2020-06-17
公開日:2018-11-07
識別子（ID）:4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid
HWD
HWD
表記:2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
組成式:C7 H9 N3 O4
SMILES:O=C(O)C(N)CN1C=CC(=O)NC1=O
InChi:InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1
別名:WILLARDIINE
定義日:2002-09-20
最終更新日:2020-06-17
識別子（ID）:3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine
HXL
HXL
表記:2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
組成式:C21 H18 N6 O
SMILES:[N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4
InChi:InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
別名:2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
定義日:2006-01-11
最終更新日:2020-06-17
識別子（ID）:2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide
HXX
HXX
表記:3,6-dichloro-2-hydroxybenzoic acid
組成式:C7 H4 Cl2 O3
SMILES:Clc1ccc(Cl)c(C(=O)O)c1O
InChi:InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12)
別名:3,6 dichlorosalicylic acid
定義日:2009-03-13
最終更新日:2020-06-17
識別子（ID）:3,6-dichloro-2-hydroxybenzoic acid
HY0
HY0
表記:HYGROMYCIN B VARIANT
組成式:C20 H37 N3 O13
SMILES:O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO
InChi:InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
別名:(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S) -1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5', 7-tetrol
定義日:2010-11-08
最終更新日:2020-06-17
識別子（ID）:(2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name)
HYC
HYC
表記:O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE
組成式:C37 H51 N5 O7
SMILES:O=C(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCCCCCC6CC5C7CCc4cc(O)ccc4C7CCC5(C)C6O
InChi:InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1
別名:EM-1745
定義日:2001-03-07
最終更新日:2020-06-17
識別子（ID）:5'-O-{9-[(9beta,13alpha,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]nonanoyl}adenosine
HYN
HYN
表記:imidazolidine-2,4-dione
組成式:C3 H4 N2 O2
SMILES:O=C1NC(=O)NC1
InChi:InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
別名:Hydantoin
定義日:2008-03-21
最終更新日:2020-06-17
識別子（ID）:imidazolidine-2,4-dione
HZH
HZH
表記:1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
組成式:C11 H11 F3 O S
SMILES:FC(F)(F)C(=O)CSCCc1ccccc1
InChi:InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
別名:3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP
定義日:2008-06-11
最終更新日:2020-06-17
識別子（ID）:1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
I03
I03
表記:(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
組成式:C28 H32 F N3 O6 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C
InChi:InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1
別名:N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I SOPHTHALIMIDE
定義日:2006-10-25
最終更新日:2020-06-17
識別子（ID）:(2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate
I1P
I1P
表記:2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
組成式:C21 H24 N8 O2 S
SMILES:O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34
InChi:InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)
別名:N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE
定義日:2003-11-11
最終更新日:2020-06-17
識別子（ID）:N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
I32
I32
表記:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile
組成式:C16 H20 I N3 O2
SMILES:Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N
InChi:InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1
別名:IODOCYANOPINDOLOL
定義日:2011-03-17
最終更新日:2020-06-17
識別子（ID）:4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile
I59
I59
表記:HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID
組成式:C11 H11 O4 P
SMILES:O=P(O)(O)C(O)c2cccc1ccccc12
InChi:InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1
別名:DPI59
定義日:2003-06-20
最終更新日:2020-06-17
識別子（ID）:[(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid
I7P
I7P
表記:(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
組成式:C6 H19 O27 P7
SMILES:O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O
InChi:InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+
別名:1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
定義日:2011-08-08
最終更新日:2020-06-17
識別子（ID）:(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
I8P
I8P
表記:(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
組成式:C6 H20 O30 P8
SMILES:O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O
InChi:InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1
別名:1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate
定義日:2011-08-08
最終更新日:2020-06-17
識別子（ID）:(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)]
ICF
ICF
表記:1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER
組成式:C3 H2 Cl F5 O
SMILES:(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
InChi:InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
別名:ISOFLURANE
定義日:2004-11-19
最終更新日:2020-06-17
識別子（ID）:(1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
ID5
ID5
表記:[5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID
組成式:C17 H10 F4 N2 O4 S
SMILES:Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2
InChi:InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25)
別名:IDD552
定義日:2004-05-07
最終更新日:2020-06-17
識別子（ID）:(5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid
IDB
IDB
表記:3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID
組成式:C20 H14 I6 N2 O6
SMILES:O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I
InChi:InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)
別名:3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID)
定義日:2005-07-26
最終更新日:2020-06-17
識別子（ID）:3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid)
IDJ
IDJ
表記:(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
組成式:C6 H11 N O5
SMILES:O=C(O)C1NCC(O)C(O)C1O
InChi:InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1
別名:[2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine
定義日:2013-05-07
最終更新日:2020-06-17
公開日:2013-09-18
識別子（ID）:(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
IF7
IF7
表記:(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
組成式:C6 H11 N O4
SMILES:OC[CH]1CNC(=O)[CH](O)[CH]1O
InChi:InChI=1S/C6H11NO4/c8-2-3-1-7-6(11)5(10)4(3)9/h3-5,8-10H,1-2H2,(H,7,11)/t3-,4+,5+/m1/s1
別名:ISO-GALACTO-FAGOMINE LACTAM
定義日:2015-03-17
最終更新日:2020-06-17
公開日:2015-03-25
識別子（ID）:(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one
IGC
IGC
表記:N-[(1S,2R,3E)-1-({[ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]OXY}METHYL)-2-H YDROXYHEPTADEC-3-EN-1-YL]OCTANAMIDE
組成式:C44 H81 N O18
SMILES:O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCC
InChi:InChI=1S/C44H81NO18/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-28(49)27(45-32(50)22-20-17-8-6-4-2)26-58-42-38(56)36(54)40(31(25-48)61-42)62-44-39(57)41(34(52)30(24-47)60-44)63-43-37(55)35(53)33(51)29(23-46)59-43/h19,21,27-31,33-44,46-49,51-57H,3-18,20,22-26H2,1-2H3,(H,45,50)/b21-19+/t27-,28+,29?,30+,31+,33?,34-,35?,36+,37?,38+,39+,40+,41-,42+,43?,44-/m0/s1
別名:ISOGLOBOTRIHEXOSYLCERAMIDE
定義日:2007-06-22
最終更新日:2020-06-17
識別子（ID）:N-[(1S,2R,3E)-1-({[hexopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}methyl)-2-hydroxyheptadec-3-en-1-yl]octanamide
IIH
IIH
表記:4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
組成式:C13 H6 Cl I2 N O2
SMILES:Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O
InChi:InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H
別名:2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole
定義日:2010-04-19
最終更新日:2020-06-17
公開日:2017-06-28
識別子（ID）:4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
IM3
IM3
表記:(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID
組成式:C9 H9 N O4
SMILES:O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1
InChi:InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+
別名:IMINO-DOPA
定義日:2006-12-14
最終更新日:2020-06-17
識別子（ID）:(2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid
IM4
IM4
表記:(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
組成式:C9 H10 Cl N5 O2
SMILES:[O-][N+](=O)/N=C1NCCN1Cc2cnc(Cl)cc2
InChi:InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
別名:imidacloprid
定義日:2008-02-11
最終更新日:2020-06-17
識別子（ID）:(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine

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件を2024-10-09に公開中

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