EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169424 - 3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)

ChEBI IDCHEBI:169424
ChEBI Name3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O12
Net Charge0
Average Mass440.357
Monoisotopic Mass440.09548
SMILESO=C(OCC1OC(Oc2cc(O)cc(O)c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C19H20O12/c20-8-3-9(21)5-10(4-8)30-19-17(27)16(26)15(25)13(31-19)6-29-18(28)7-1-11(22)14(24)12(23)2-7/h1-5,13,15-17,19-27H,6H2
InChIKeyWVHDGXKUZIDTIN-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)
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) (CHEBI:169424) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-(3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0039307HMDB