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1-O-Galloylglycerol

PropertiesImage
MNX_IDMNXM116012 Image of MNXM116012
referencechebi:168599
formulaC10H12O7
global charge0
mol weight244.199
InChIKeyPDEQYQCQYAQJPN-UHFFFAOYSA-N
InChIInChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2
SMILESO=C(OCC(O)CO)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2/t6? Image of MNXM116012
SMILES (mnx)[CH:1]1=[C:5]([C:10](=[O:16])[O:17][CH2:4][CH:6]([CH2:3][OH:11])[OH:12])[CH:2]=[C:8]([OH:14])[C:9]([OH:15])=[C:7]1[OH:13]
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:168599
chebi:168599
PDEQYQCQYAQJPN-UHFFFAOYSA-N 		1-O-Galloylglycerol
2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate
hmdb:HMDB0039177
PDEQYQCQYAQJPN-UHFFFAOYSA-N 		1-O-Galloylglycerol
2,3-Dihydroxypropyl 3,4,5-trihydroxybenzoic acid
2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate

hmdb:HMDB39177 		secondary/obsolete/fantasy identifier