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1-O-Galloylfructose

PropertiesImage
MNX_IDMNXM116011 Image of MNXM116011
referencechebi:193882
formulaC13H16O10
global charge0
mol weight332.261
InChIKeyWMYZHISPRKXOOF-UHFFFAOYSA-N
InChIInChI=1S/C13H16O10/c14-6-1-5(2-7(15)9(6)17)12(20)22-4-13(21)11(19)10(18)8(16)3-23-13/h1-2,8,10-11,14-19,21H,3-4H2
SMILESO=C(OCC1(O)OCC(O)C(O)C1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C13H16O10/c14-6-1-5(2-7(15)9(6)17)12(20)22-4-13(21)11(19)10(18)8(16)3-23-13/h1-2,8,10-11,14-19,21H,3-4H2/t8?,10?,11?,13? Image of MNXM116011
SMILES (mnx)[CH:1]1=[C:5]([C:12](=[O:20])[O:22][CH2:4][C:13]2([OH:21])[CH:11]([OH:19])[CH:10]([OH:18])[CH:8]([OH:16])[CH2:3][O:23]2)[CH:2]=[C:7]([OH:15])[C:9]([OH:17])=[C:6]1[OH:14]
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:193882
chebi:193882
WMYZHISPRKXOOF-UHFFFAOYSA-N 		1-O-Galloylfructose
(2,3,4,5-tetrahydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
hmdb:HMDB0039286
WMYZHISPRKXOOF-UHFFFAOYSA-N 		1-O-Galloylfructose
(2,3,4,5-Tetrahydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoic acid
(2,3,4,5-tetrahydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

hmdb:HMDB39286 		secondary/obsolete/fantasy identifier