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HPI
HPI
Name:N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE
Formula:C23 H27 N3 O6
SMILES:O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O)CCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C23H27N3O6/c24-21(29)18(14-20(27)28)26-22(30)19(13-16-9-5-2-6-10-16)25-17(23(31)32)12-11-15-7-3-1-4-8-15/h1-10,17-19,25H,11-14H2,(H2,24,29)(H,26,30)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1
Definition date:2004-08-17
Last modified:2011-06-04
Identifier:N-[(1S)-1-carboxy-3-phenylpropyl]-L-phenylalanyl-L-alpha-asparagine
HPK
HPK
Name:(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE
Formula:C12 H9 O4
SMILES:O=C(c1ccccc1)CC=CC(=O)C([O-])=O
InChi:InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+
Definition date:2007-05-14
Last modified:2011-06-04
Identifier:(3E)-2,6-dioxo-6-phenylhex-3-enoate
HPP
HPP
Name:HYDROXYPHENYL PROPIONIC ACID
Formula:C9 H10 O3
SMILES:O=C(O)CCc1ccc(O)cc1
InChi:InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(4-hydroxyphenyl)propanoic acid
HPR
HPR
Name:6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE
Formula:C10 H14 N4 O5
SMILES:Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:9-beta-D-ribofuranosyl-8,9-dihydro-7H-purin-6-ol
HPT
HPT
Name:6-HYDROXYPROPYLTHYMINE
Formula:C8 H12 N2 O3
SMILES:O=C1NC(=C(C(=O)N1)C)CCCO
InChi:InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
Definition date:2000-05-24
Last modified:2011-06-04
Identifier:6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
HPY
HPY
Name:4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
Formula:C4 H6 N2 O2
SMILES:O=C1NC(O)C=CN1
InChi:InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1
Definition date:2001-10-23
Last modified:2011-06-04
Identifier:(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
HPZ
HPZ
Name:(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
Formula:C12 H10 O4
SMILES:O=C(C=CC=C(O)C(=O)O)c1ccccc1
InChi:InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8+
Definition date:2007-05-15
Last modified:2011-06-04
Identifier:(2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
HQ6
HQ6
Name:N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
Formula:C9 H18 N2 O5
SMILES:O=C(NC1C(O)C(O)C(NCC1O)CO)C
InChi:InChI=1S/C9H18N2O5/c1-4(13)11-7-6(14)2-10-5(3-12)8(15)9(7)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)/t5-,6-,7+,8-,9-/m1/s1
Definition date:2008-12-17
Last modified:2011-06-04
Identifier:N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
HQP
HQP
Name:4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE
Formula:C21 H17 N7
SMILES:N#CC5C=C/C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:InChI=1S/C21H17N7/c22-12-13-5-9-15(10-6-13)23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,13-14H,7-8H2,(H2,24,25,26,27,28)/b23-15-
Definition date:2006-11-16
Last modified:2011-06-04
Identifier:(1R,4Z)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile
HQU
HQU
Name:3-HYDROXYQUINALDIC ACID
Formula:C10 H7 N O3
SMILES:O=C(O)c1nc2ccccc2cc1O
InChi:InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-hydroxyquinoline-2-carboxylic acid
HRP
HRP
Name:5-HYDROXY-L-TRYPTOPHAN
Formula:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cc(O)ccc1nc2
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1
Definition date:2005-01-14
Last modified:2011-06-04
Identifier:5-hydroxy-D-tryptophan
HT3
HT3
Name:(2R,3S)-heptane-1,2,3-triol
Formula:C7 H16 O3
SMILES:OC(CCCC)C(O)CO
InChi:InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m0/s1
Definition date:2010-10-20
Last modified:2011-06-04
Identifier:(2R,3S)-heptane-1,2,3-triol
HTC
HTC
Name:3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
Formula:C12 H9 N O7 S2
SMILES:O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O
InChi:InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
Definition date:2004-09-27
Last modified:2011-06-04
Identifier:3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
HTJ
HTJ
Name:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C19 H14 N4 O2
SMILES:O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4
InChi:InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)
Definition date:2010-08-03
Last modified:2011-06-04
Identifier:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
HTP
HTP
Name:4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM
Formula:C7 H12 N3 O4
SMILES:OC2c1cnn[n+]1C(C(O)C2O)CO
InChi:InChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(4S,5S,6R,7R)-4,5,6-trihydroxy-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[1,5-a]pyridin-8-ium
HUB
HUB
Name:HUPERZINE B
Formula:C16 H20 N2 O
SMILES:O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C
InChi:InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Definition date:2001-11-07
Last modified:2011-06-04
Identifier:(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one
190
190
Name:N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
Formula:C31 H37 Br F N O5 S
SMILES:Brc1cc(ccc1)CC(NC(=O)COc2c(cccc2C)C)C(O)CC(CC(C)C)S(=O)(=O)c3ccc(F)cc3
InChi:InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1
Definition date:2004-10-15
Last modified:2011-06-04
Identifier:N-{(1S,2R,4S)-1-(3-bromobenzyl)-4-[(4-fluorophenyl)sulfonyl]-2-hydroxy-6-methylheptyl}-2-(2,6-dimethylphenoxy)acetamide
194
194
Name:4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Formula:C21 H14 N2 O8
SMILES:[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccccc3Oc2ccc(C(=O)O)c(C(=O)O)c2
InChi:InChI=1S/C21H14N2O8/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)
Definition date:2005-03-29
Last modified:2011-06-04
Identifier:4-(2-{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid
195
195
Name:4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID
Formula:C28 H18 N4 O11
SMILES:[O-][N+](=O)c1cccc(c1)C(=O)Nc3ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(c3)NC(=O)c4cccc([N+]([O-])=O)c4
InChi:InChI=1S/C28H18N4O11/c33-25(15-3-1-5-18(11-15)31(39)40)29-17-7-10-24(43-20-8-9-21(27(35)36)22(14-20)28(37)38)23(13-17)30-26(34)16-4-2-6-19(12-16)32(41)42/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)
Definition date:2005-03-29
Last modified:2011-06-04
Identifier:4-(2,4-bis{[(3-nitrophenyl)carbonyl]amino}phenoxy)benzene-1,2-dicarboxylic acid
196
196
Name:3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE
Formula:C17 H10 F N O2
SMILES:Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O
InChi:InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H
Definition date:2005-03-04
Last modified:2011-06-04
Identifier:3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile
1AA
1AA
Name:5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE
Formula:C18 H24 N4 O13 P2
SMILES:O=P(O)(OCCOC(=O)c1ccccc1N)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O
InChi:InChI=1S/C18H24N4O13P2/c19-11-4-2-1-3-10(11)17(25)31-7-8-32-36(27,28)35-37(29,30)33-9-12-14(23)15(24)16(34-12)22-6-5-13(20)21-18(22)26/h1-6,12,14-16,23-24H,7-9,19H2,(H,27,28)(H,29,30)(H2,20,21,26)/t12-,14-,15-,16-/m1/s1
Definition date:2005-09-26
Last modified:2011-06-04
Identifier:5'-O-[(S)-{[(R)-(2-{[(2-aminophenyl)carbonyl]oxy}ethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
1AH
1AH
Name:3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:C34 H41 Br N4 O6
SMILES:Brc1ccc(cc1)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)CC(O)(C(=O)NC3c2ccccc2CC3O)Cc4ccccc4
InChi:InChI=1S/C34H41BrN4O6/c1-33(2,3)29(37-32(43)45-4)30(41)38-39(20-23-14-16-25(35)17-15-23)21-34(44,19-22-10-6-5-7-11-22)31(42)36-28-26-13-9-8-12-24(26)18-27(28)40/h5-17,27-29,40,44H,18-21H2,1-4H3,(H,36,42)(H,37,43)(H,38,41)/t27-,28+,29-,34+/m1/s1
Definition date:2006-02-07
Last modified:2011-06-04
Identifier:methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-bromobenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)
1AN
1AN
Name:2-FLUOROANILINE
Formula:C6 H6 F N
SMILES:Fc1ccccc1N
InChi:InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
Definition date:2002-04-18
Last modified:2011-06-04
Identifier:2-fluoroaniline
1AR
1AR
Name:4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSE
Formula:C9 H16 O5
SMILES:O=C(OC1C(OC(O)CC1(O)C)C)C
InChi:InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7-,8-,9-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-O-acetyl-2,6-dideoxy-3-C-methyl-beta-L-arabino-hexopyranose
1BY
1BY
Name:[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Formula:C7 H12 N2 O6 P2
SMILES:O=P(O)(O)C(CNc1ncccc1)P(=O)(O)O
InChi:InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Definition date:2006-08-14
Last modified:2011-06-04
Identifier:[2-(pyridin-2-ylamino)ethane-1,1-diyl]bis(phosphonic acid)

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数据于2024-09-11公开中

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