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Benzyl 2,6-dihydroxybenzoate 2-glucoside

PropertiesImage
MNX_IDMNXM119670 Image of MNXM119670
referencechebi:176001
formulaC20H22O9
global charge0
mol weight406.387
InChIKeyGTFARABJCNHOHO-UHFFFAOYSA-N
InChIInChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2
SMILESO=C(OCC1=CC=CC=C1)C1=C(O)C=CC=C1OC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2/t14?,16?,17?,18?,20? Image of MNXM119670
SMILES (mnx)[CH:1]1=[CH:2][CH:5]=[C:11]([CH2:10][O:27][C:19]([C:15]2=[C:12]([OH:22])[CH:7]=[CH:4][CH:8]=[C:13]2[O:28][CH:20]2[CH:18]([OH:25])[CH:17]([OH:24])[CH:16]([OH:23])[CH:14]([CH2:9][OH:21])[O:29]2)=[O:26])[CH:6]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:176001
chebi:176001
GTFARABJCNHOHO-UHFFFAOYSA-N
Benzyl 2,6-dihydroxybenzoate 2-glucoside
benzyl 2-hydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
hmdb:HMDB0038330
GTFARABJCNHOHO-UHFFFAOYSA-N
Benzyl 2,6-dihydroxybenzoate 2-glucoside
Benzyl 2,6-dihydroxybenzoic acid 2-glucoside
Benzyl 2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
benzyl 2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate

hmdb:HMDB38330
secondary/obsolete/fantasy identifier