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salicylate 2-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM12921 Image of MNXM12921
referencechebi:145670
formulaC13H15O8
global charge-1
mol weight299.255
InChIKeyTZPBMNKOLMSJPF-BZNQNGANSA-M
InChIInChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1
SMILESO=C([O-])C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1 Image of MNXM12921
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([O:20][C@H:13]2[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:8]([CH2:5][OH:14])[O:21]2)[C:6]([C:12](=[O:18])[OH:19])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145670
chebi:145670
TZPBMNKOLMSJPF-BZNQNGANSA-M 		salicylate 2-O-beta-D-glucoside
2-(beta-D-glucopyranosyloxy)benzoate
2-(beta-D-glucosyloxy)benzoate
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoate

CHEBI:145663
chebi:145663
TZPBMNKOLMSJPF-BZNQNGANSA-N 		2-(beta-D-glucopyranosyloxy)benzoic acid
2-O-(beta-D-glucosyl)salicylic acid
2-O-beta-glucopyranosylsalicylic acid
2-carboxyphenyl beta-D-glucopyranoside
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoic acid
salicylic acid 2-O-beta-D-glucoside
salicylic acid beta-D-glucoside

seed.compound:cpd23500
seedM:cpd23500
TZPBMNKOLMSJPF-BZNQNGANSA-M 		2-O-beta-glucopyranosylsalicylic acid
2-hydroxybenzoic acid 2-O-beta-D-glucoside
SAG
benzoic acid, O-(glucopyranosyloxy)-
salicylate 2-O-beta-D-glucoside
salicylic acid 2-O-beta-D-glucoside
salicylic acid 2-beta-D-glucoside
hmdb:HMDB0302794
TZPBMNKOLMSJPF-BZNQNGANSA-M 		Salicylic acid 2-beta-D-glucoside
2-(b-D-Glucopyranosyloxy)benzoate
2-(b-D-Glucopyranosyloxy)benzoic acid
2-(b-D-Glucosyloxy)benzoate
2-(b-D-Glucosyloxy)benzoic acid
2-(beta-D-Glucopyranosyloxy)benzoic acid
2-(beta-D-Glucosyloxy)benzoate
2-(beta-D-Glucosyloxy)benzoic acid
2-(beta-D-glucopyranosyloxy)benzoate
2-(beta-D-glucopyranosyloxy)benzoic acid
2-(beta-D-glucosyloxy)benzoate
2-(beta-D-glucosyloxy)benzoic acid
2-Hydroxybenzoic acid 2-O-beta-D-glucoside
2-O-beta-glucopyranosylsalicylic acid
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoate
2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoic acid
SAG
Salicylate 2-O-b-D-glucoside
Salicylate 2-O-beta-D-glucoside
Salicylate 2-b-D-glucoside
Salicylate 2-beta-D-glucoside
Salicylic acid 2-O-b-D-glucoside
Salicylic acid 2-O-beta-D-glucoside
Salicylic acid 2-b-D-glucoside

metacyc.compound:CPD-12628
metacycM:CPD-12628
TZPBMNKOLMSJPF-BZNQNGANSA-M 		salicylate 2-O-beta-D-glucoside
2-O-beta-glucopyranosylsalicylic acid
2-hydroxybenzoic acid 2-O-beta-D-glucoside
SAG
benzoic acid, O-(glucopyranosyloxy)-
salicylic acid 2-O-beta-D-glucoside
salicylic acid 2-beta-D-glucoside

seedM:M_cpd23500 		secondary/obsolete/fantasy identifier