EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168599 - 1-O-Galloylglycerol

ChEBI IDCHEBI:168599
ChEBI Name1-O-Galloylglycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O7
Net Charge0
Average Mass244.199
Monoisotopic Mass244.05830
SMILESO=C(OCC(O)CO)c1cc(O)c(O)c(O)c1
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
InChIKeyPDEQYQCQYAQJPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-O-Galloylglycerol (CHEBI:168599) is a gallate ester (CHEBI:37576)
IUPAC Name 
2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039177HMDB
4476324ChemSpider