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JVA
JVA
Name:2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
Formula:C7 H14 F O7 P
SMILES:C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
InChi:InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
Definition date:2018-10-01
Last modified:2020-07-17
Release date:2019-07-31
Identifier:2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
AQA
AQA
Name:4-deoxy-beta-L-threo-hex-4-enopyranuronic acid
Formula:C6 H8 O6
SMILES:O=C(O)C=1OC(C(C(C=1)O)O)O
InChi:InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1
Synonyms:4-deoxy-beta-L-threo-hex-4-enuronic acid
Definition date:2011-06-24
Last modified:2020-07-17
Identifier:4-deoxy-beta-L-threo-hex-4-enopyranuronic acid
JVS
JVS
Name:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:C7 H14 F O9 P
SMILES:C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
InChi:InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
Synonyms:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:2018-10-04
Last modified:2020-07-17
Release date:2019-07-31
Identifier:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
ARB
ARB
Name:beta-L-arabinopyranose
Formula:C5 H10 O5
SMILES:OC1C(O)COC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
Synonyms:beta-L-arabinose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:beta-L-arabinopyranose
ARI
ARI
Name:(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
Formula:C8 H14 O4
SMILES:O=C(OC1C(OC(O)CC1)C)C
InChi:InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1
Synonyms:[O4]-ACETOXY-2,3-DIDEOXYFUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
ARW
ARW
Name:methyl beta-D-arabinopyranoside
Formula:C6 H12 O5
SMILES:OC1C(O)C(O)COC1OC
InChi:InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
Synonyms:methyl beta-D-arabinoside
Definition date:2005-04-12
Last modified:2020-07-17
Identifier:methyl beta-D-arabinopyranoside
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
RP3
RP3
Name:3-deoxy-5-O-phosphono-beta-D-ribofuranose
Formula:C5 H11 O7 P
SMILES:OP(O)(=O)OCC1OC(C(C1)O)O
InChi:InChI=1S/C5H11O7P/c6-4-1-3(12-5(4)7)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1
Synonyms:3'-deoxy-D-ribofuranose-5'-phosphate
Definition date:2015-07-28
Last modified:2020-07-17
Release date:2015-10-21
Identifier:3-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose
RP5
RP5
Name:5-O-phosphono-beta-D-ribofuranose
Formula:C5 H11 O8 P
SMILES:O=P(O)(O)OCC1OC(O)C(O)C1O
InChi:InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
Synonyms:[(2R,3S,4S,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:2003-04-30
Last modified:2020-07-17
Identifier:5-O-phosphono-beta-D-ribofuranose
RP6
RP6
Name:5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Formula:C14 H21 N O8
SMILES:O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C
InChi:InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Definition date:2010-10-27
Last modified:2020-07-17
Identifier:5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
RTG
RTG
Name:6-O-phosphono-alpha-L-idopyranose
Formula:C6 H13 O9 P
SMILES:O=P(O)(OCC1OC(C(C(C1O)O)O)O)O
InChi:InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1
Definition date:2020-02-25
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-phosphono-alpha-L-idopyranose
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
RUG
RUG
Name:1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
Formula:C9 H15 N3 O6
SMILES:n1nn(cc1CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C9H15N3O6/c13-2-4-1-12(11-10-4)9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8-,9-/m1/s1
Synonyms:1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
Definition date:2009-02-05
Last modified:2020-07-17
Identifier:1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
RUU
RUU
Name:alpha-L-ribulofuranose
Formula:C5 H10 O5
SMILES:OCC1(O)OCC(O)C1O
InChi:InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
Synonyms:alpha-L-ribulose
Definition date:2013-12-05
Last modified:2020-07-17
Release date:2014-05-28
Identifier:alpha-L-ribulofuranose
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
RVG
RVG
Name:6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
Formula:C8 H16 O5
SMILES:OC1C(OC)C(OC)C(OC1C)O
InChi:InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1
Definition date:2020-02-26
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
RVM
RVM
Name:4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose
Formula:C8 H16 O4
SMILES:C1C(OC)C(OC)C(OC1C)O
InChi:InChI=1S/C8H16O4/c1-5-4-6(10-2)7(11-3)8(9)12-5/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
Definition date:2020-02-26
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose
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)
RWI
RWI
Name:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
Formula:C11 H18 N2 O11
SMILES:O=C(NC1C(O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO
InChi:InChI=1S/C11H18N2O11/c14-2-4-7(17)8(18)6(12-11(21)13-22)10(24-4)23-3(9(19)20)1-5(15)16/h3-4,6-8,10,14,17-18,22H,1-2H2,(H,15,16)(H,19,20)(H2,12,13,21)/t3-,4+,6+,7+,8+,10-/m0/s1
Synonyms:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid
Definition date:2019-10-09
Last modified:2020-07-17
Release date:2020-01-08
Identifier:(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid
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

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数据于2025-07-02公开中

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