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ASC
ASC
Name:ASCORBIC ACID
Formula:C6 H8 O6
SMILES:O=C1OC(C(O)=C1O)C(O)CO
InChi:InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
Synonyms:Vitamin C
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)
ASG
ASG
Name:2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose
AXP
AXP
Name:(1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Formula:C10 H20 N O9 P
SMILES:O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1
Synonyms:4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:(1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
AXR
AXR
Name:methyl alpha-D-arabinofuranoside
Formula:C6 H12 O5
SMILES:OC1C(OC(OC)C1O)CO
InChi:InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1
Synonyms:1-O-methyl-alpha-D-arabinofuranoside
Definition date:2009-06-03
Last modified:2020-07-17
Identifier:methyl alpha-D-arabinofuranoside
AY9
AY9
Name:Ascopyrone M
Formula:C6 H8 O4
SMILES:O=C1C(O)=CC(OC1)CO
InChi:InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
Definition date:2011-11-15
Last modified:2020-07-17
Identifier:(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one
AZC
AZC
Name:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
Formula:C9 H16 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C
InChi:InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA
Definition date:2001-09-21
Last modified:2020-07-17
Identifier:N-(acetylcarbamoyl)-beta-D-glucopyranosylamine
B0D
B0D
Name:(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Formula:C6 H10 F2 O5
SMILES:FC1OC(F)(C(O)C(O)C1O)CO
InChi:InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1
Definition date:2009-08-18
Last modified:2020-07-17
Identifier:(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
B16
B16
Name:1,6-di-O-phosphono-beta-D-glucopyranose
Formula:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O
InChi:InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:1,6-di-O-phosphono-beta-D-glucose
Definition date:2011-12-06
Last modified:2020-07-17
Identifier:1,6-di-O-phosphono-beta-D-glucopyranose
B1H
B1H
Name:(1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol
Formula:C14 H17 N4 O7
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O
InChi:InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1
Synonyms:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
Definition date:2017-09-05
Last modified:2020-07-17
Release date:2018-02-28
Identifier:[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl ]-oxidanyl-oxidanylidene-azanium
B1N
B1N
Name:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
Formula:C14 H17 N3 O6
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3
InChi:InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
Definition date:2017-09-05
Last modified:2020-07-17
Release date:2018-02-28
Identifier:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol
B2G
B2G
Name:GALACTOBIOSE
Formula:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1
Synonyms:BETA-1,4-GALACTOBIOSIDE
Definition date:2003-10-23
Last modified:2020-07-17
Identifier:4-O-beta-D-galactopyranosyl-beta-D-galactopyranose
38J
38J
Name:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
Formula:C18 H32 O16
SMILES:O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
Synonyms:beta-MALTOTRIOSE
Definition date:2014-07-07
Last modified:2020-07-17
Release date:2014-07-16
Identifier:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose
EQP
EQP
Name:(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Formula:C10 H20 N O9 P
SMILES:O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
Synonyms:(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:(1R)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
EQV
EQV
Name:Loganic acid
Formula:C16 H24 O10
SMILES:CC1C(CC2C(=COC(C12)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O
InChi:InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
Synonyms:(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid
Definition date:2018-01-29
Last modified:2020-07-17
Release date:2018-02-07
Identifier:(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid
ERI
ERI
Name:3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose
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
Synonyms:4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO-HEXOPYRANOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranose
3DO
3DO
Name:3-deoxy-beta-D-glucopyranose
Formula:C6 H12 O5
SMILES:OC1C(OC(O)C(O)C1)CO
InChi:InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:3-deoxy-beta-D-ribo-hexopyranose
Definition date:2013-11-26
Last modified:2020-07-17
Release date:2015-03-25
Identifier:3-deoxy-beta-D-ribo-hexopyranose
ETT
ETT
Name:5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Formula:C21 H27 N O8
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C
InChi:InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
Synonyms:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Definition date:2010-11-24
Last modified:2020-07-17
Identifier:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
3FM
3FM
Name:3-O-carbamoyl-alpha-D-mannopyranose
Formula:C7 H13 N O7
SMILES:O=C(OC1C(O)C(OC(O)C1O)CO)N
InChi:InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1
Synonyms:3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE
Definition date:1999-07-16
Last modified:2020-07-17
Identifier:3-O-carbamoyl-alpha-D-mannopyranose
3J3
3J3
Name:(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol
Formula:C11 H22 N2 O10 S2
SMILES:O=S(=O)(N1CCC(OS(=O)(=O)N)CC1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C11H22N2O10S2/c12-25(20,21)23-6-1-3-13(4-2-6)24(18,19)11-10(17)9(16)8(15)7(5-14)22-11/h6-11,14-17H,1-5H2,(H2,12,20,21)/t7-,8+,9+,10-,11-/m1/s1
Definition date:2014-08-22
Last modified:2020-07-17
Release date:2014-10-15
Identifier:(1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol
3J4
3J4
Name:(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol
Formula:C10 H20 N2 O10 S2
SMILES:O=S(=O)(N1CCC(OS(=O)(=O)N)C1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C10H20N2O10S2/c11-24(19,20)22-5-1-2-12(3-5)23(17,18)10-9(16)8(15)7(14)6(4-13)21-10/h5-10,13-16H,1-4H2,(H2,11,19,20)/t5-,6?,7-,8+,9+,10+/m1/s1
Definition date:2014-08-25
Last modified:2020-07-17
Release date:2014-10-15
Identifier:(6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol
F1P
F1P
Name:1-O-phosphono-beta-D-fructopyranose
Formula:C6 H13 O9 P
SMILES:O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
InChi:InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE
Definition date:2006-02-28
Last modified:2020-07-17
Identifier:1-O-phosphono-beta-D-fructopyranose
F1X
F1X
Name:1-O-phosphono-beta-D-fructofuranose
Formula:C6 H13 O9 P
SMILES:O=P(OCC1(O)OC(C(O)C1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:beta D-Fructose 1-phosphate
Definition date:2010-08-04
Last modified:2020-07-17
Identifier:1-O-phosphono-beta-D-fructofuranose
1LL
1LL
Name:thioditaloside
Formula:C12 H22 O10 S
SMILES:O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11+,12+/m1/s1
Synonyms:beta-D-talopyranosyl 1-thio-beta-D-talopyranoside
Definition date:2013-03-19
Last modified:2020-07-17
Release date:2013-07-31
Identifier:beta-D-talopyranosyl 1-thio-beta-D-talopyranoside
OAK
OAK
Name:N-(phenylcarbonyl)-beta-D-glucopyranosylamine
Formula:C13 H17 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2
InChi:InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:N-(phenylcarbonyl)-beta-D-glucosylamine
Definition date:2009-02-05
Last modified:2020-07-17
Identifier:N-(phenylcarbonyl)-beta-D-glucopyranosylamine
OBQ
OBQ
Name:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
Formula:C21 H22 N2 O6
SMILES:COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34
InChi:InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1
Definition date:2020-02-26
Last modified:2020-07-17
Release date:2020-07-22
Identifier:(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one

237992

数据于2025-06-25公开中

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