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HHR
HHR
Name:6-HYDROXYMETHYLPTERIN
Formula:C7 H7 N5 O2
SMILES:O=C1c2nc(cnc2N=C(N1)N)CO
InChi:InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
Definition date:2000-07-25
Last modified:2011-06-04
Identifier:2-amino-6-(hydroxymethyl)pteridin-4(3H)-one
HHV
HHV
Name:5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
Formula:C10 H11 N5 O
SMILES:O=C(c2c(NCc1cccnc1)nnc2)N
InChi:InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15)
Definition date:2009-09-17
Last modified:2011-06-04
Identifier:5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide
HI0
HI0
Name:(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
Formula:C43 H45 Cl N8 O4 S2
SMILES:[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67
InChi:InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1
Definition date:2011-02-18
Last modified:2011-06-04
Identifier:N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
HI1
HI1
Name:METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
Formula:C36 H45 Br N4 O6
SMILES:Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CCCC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4
InChi:InChI=1S/C36H45BrN4O6/c1-35(2,3)31(39-34(45)47-4)32(43)40-41(23-25-15-17-27(37)18-16-25)20-10-19-36(46,22-24-11-6-5-7-12-24)33(44)38-30-28-14-9-8-13-26(28)21-29(30)42/h5-9,11-18,29-31,42,46H,10,19-23H2,1-4H3,(H,38,44)(H,39,45)(H,40,43)/t29-,30+,31-,36-/m1/s1
Definition date:2007-04-02
Last modified:2011-06-04
Identifier:methyl [(1S)-1-({2-[(4R)-4-benzyl-4-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)
HIE
HIE
Name:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
Formula:C23 H27 F3 N4 O3
SMILES:FC(F)(F)c2nn(c1c2C(=O)CC(C1)(C)C)c4ccc(C(=O)N)c(NC3CCC(O)CC3)c4
InChi:InChI=1S/C23H27F3N4O3/c1-22(2)10-17-19(18(32)11-22)20(23(24,25)26)29-30(17)13-5-8-15(21(27)33)16(9-13)28-12-3-6-14(31)7-4-12/h5,8-9,12,14,28,31H,3-4,6-7,10-11H2,1-2H3,(H2,27,33)/t12-,14+
Definition date:2010-09-07
Last modified:2011-06-04
Identifier:4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide
HIZ
HIZ
Name:1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
Formula:C19 H18 Cl F N4 O2 S
SMILES:O=C(Nc1nc(cs1)C(N)COCc2ccccc2)Nc3ccc(F)c(Cl)c3
InChi:InChI=1S/C19H18ClFN4O2S/c20-14-8-13(6-7-15(14)21)23-18(26)25-19-24-17(11-28-19)16(22)10-27-9-12-4-2-1-3-5-12/h1-8,11,16H,9-10,22H2,(H2,23,24,25,26)/t16-/m1/s1
Definition date:2009-09-04
Last modified:2011-06-04
Identifier:1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea
HKV
HKV
Name:4,5-DIOXOPENTANOIC ACID
Formula:C5 H6 O4
SMILES:O=CC(=O)CCC(=O)O
InChi:InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
Definition date:2006-12-05
Last modified:2011-06-04
Identifier:4,5-dioxopentanoic acid
HLC
HLC
Name:4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
Formula:C14 H16 Cl N O4
SMILES:O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1
InChi:InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1
Definition date:2011-02-15
Last modified:2011-06-04
Identifier:4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide
HLE
HLE
Name:3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE
Formula:C8 H15 N O4
SMILES:O=C(NO)C(O)C(C=O)CC(C)C
InChi:InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,3R)-3-formyl-N,2-dihydroxy-5-methylhexanamide
HLO
HLO
Name:1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
Formula:C15 H17 N5 O4
SMILES:O=C(N)c1cc[n+](cc1)COC[n+]2ccc(cc2C=NO)C=NO
InChi:InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2
Definition date:2007-01-25
Last modified:2011-06-04
Identifier:1-[({2,4-bis[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]-4-carbamoylpyridinium
HM2
HM2
Name:5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
Formula:C18 H17 Cl N4
SMILES:Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3
InChi:InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
Definition date:2006-04-25
Last modified:2011-06-04
Identifier:5-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
HM4
HM4
Name:TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
Formula:C14 H16 N4 O3 S
SMILES:O=C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2
InChi:InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
Definition date:2006-11-09
Last modified:2011-06-04
Identifier:tert-butyl [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate
HM5
HM5
Name:3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
Formula:C14 H16 N4 O2 S
SMILES:O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2
InChi:InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
Definition date:2006-11-09
Last modified:2011-06-04
Identifier:3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide
HMC
HMC
Name:5-HYDROXYMETHYL-CHONDURITOL
Formula:C7 H12 O5
SMILES:OC1C(=CC(O)C(O)C1O)CO
InChi:InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
HMK
HMK
Name:(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL
Formula:C16 H12 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4
InChi:InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1
Definition date:2005-04-27
Last modified:2011-06-04
Identifier:(6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol
HMS
HMS
Name:5-O-phosphono-L-ribulose
Formula:C5 H11 O8 P
SMILES:O=P(O)(O)OCC(O)C(O)C(=O)CO
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1
Definition date:2009-01-14
Last modified:2011-06-04
Identifier:5-O-phosphono-L-ribulose
HNA
HNA
Name:1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE
Formula:C14 H7 N O6
SMILES:[O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(=O)c23
InChi:InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
Definition date:2002-07-12
Last modified:2011-06-04
Identifier:4,5-dihydroxy-1-nitroanthracene-9,10-dione
HNB
HNB
Name:(2S,5R)-5-pentyltetrahydrofuran-2-ol
Formula:C9 H18 O2
SMILES:OC1OC(CCCCC)CC1
InChi:InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
Definition date:2008-10-07
Last modified:2011-06-04
Identifier:(2S,5R)-5-pentyltetrahydrofuran-2-ol
HND
HND
Name:(4S)-nonane-1,4-diol
Formula:C9 H20 O2
SMILES:OCCCC(O)CCCCC
InChi:InChI=1S/C9H20O2/c1-2-3-4-6-9(11)7-5-8-10/h9-11H,2-8H2,1H3/t9-/m0/s1
Definition date:2009-04-30
Last modified:2011-06-04
Identifier:(4S)-nonane-1,4-diol
HNE
HNE
Name:(2E,4R)-4-HYDROXYNON-2-ENAL
Formula:C9 H16 O2
SMILES:O=C/C=C/C(O)CCCCC
InChi:InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1
Definition date:2006-08-22
Last modified:2011-06-04
Identifier:(2E,4R)-4-hydroxynon-2-enal
HOL
HOL
Name:ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
Formula:C36 H62 N O9 P
SMILES:O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O
InChi:InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33+,35+,36-/m1/s1
Definition date:2004-03-18
Last modified:2011-06-04
Identifier:(3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate
HP0
HP0
Name:(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
Formula:C20 H30 N2 O3
SMILES:O=C(O)C1N(CC2CCCCC2C1)CC(O)C(N)Cc3ccccc3
InChi:InChI=1S/C20H30N2O3/c21-17(10-14-6-2-1-3-7-14)19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25/h1-3,6-7,15-19,23H,4-5,8-13,21H2,(H,24,25)/t15-,16+,17-,18-,19+/m0/s1
Definition date:2010-10-09
Last modified:2011-06-04
Identifier:(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
HP7
HP7
Name:(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
Formula:C17 H25 N3 O18 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O
InChi:InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
HPA
HPA
Name:HYPOXANTHINE
Formula:C5 H4 N4 O
SMILES:O=C1c2c(N=CN1)ncn2
InChi:InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1,7-dihydro-6H-purin-6-one
HPF
HPF
Name:1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
Formula:C9 H14 N O7 P
SMILES:O=P(O)(O)OCC(O)C(O)Nc1ccccc1O
InChi:InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1
Definition date:2004-06-09
Last modified:2011-06-04
Identifier:(2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl dihydrogen phosphate

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數據於2024-09-11公開中

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