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1-O-salicyl-beta-D-glucose

PropertiesImage
MNX_IDMNXM21683 Image of MNXM21683
referencechebi:145681
formulaC13H16O8
global charge0
mol weight300.263
InChIKeyXNHKMZHWRNMFCU-HMUNZLOLSA-N
InChIInChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-3-1-2-4-7(6)15/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1
SMILESO=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(O)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-3-1-2-4-7(6)15/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1 Image of MNXM21683
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:7]([OH:15])[C:6]([C:12](=[O:19])[O:21][C@H:13]2[C@H:11]([OH:18])[C@@H:10]([OH:17])[C@H:9]([OH:16])[C@@H:8]([CH2:5][OH:14])[O:20]2)=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:145681
chebi:145681
XNHKMZHWRNMFCU-HMUNZLOLSA-N 		1-O-salicyl-beta-D-glucose
1-O-(2-hydroxybenzoyl)-beta-D-glucopyranose
1-O-(o-hydroxybenzoyl)-beta-D-glucopyranose
beta-D-glucopyranosyl salicylate
beta-D-glucosyl salicylate
salicylate-beta-D-glucose ester
salicylic acid acyl beta-D-glucoside
salicylic acid beta-D-glucopyranosyl ester
salicylic acid beta-D-glucose ester

seed.compound:cpd23501
seedM:cpd23501
XNHKMZHWRNMFCU-HMUNZLOLSA-N 		2-hydroxybenzoic acid glucose ester
SA beta-D-glucose ester
SGE
beta-D-glucopyranose, 1-(2-hydroxybenzoate)
glucosyl salicylate
salicylate beta-D-glucose ester
salicylic acid beta-D-glucose ester

metacyc.compound:CPD-12629
metacycM:CPD-12629
XNHKMZHWRNMFCU-HMUNZLOLSA-N 		salicylate beta-D-glucose ester
2-hydroxybenzoic acid glucose ester
SA beta-D-glucose ester
SGE
beta-D-glucopyranose, 1-(2-hydroxybenzoate)
glucosyl salicylate
salicylic acid beta-D-glucose ester

seedM:M_cpd23501 		secondary/obsolete/fantasy identifier