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CHEBI:191558 - 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)

ChEBI IDCHEBI:191558
ChEBI Name3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O13
Net Charge0
Average Mass512.464
Monoisotopic Mass512.15299
SMILESCOc1cc(CC(CO)OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3
InChIKeyDNVSCVOVXAMHOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) (CHEBI:191558) is a gallate ester (CHEBI:37576)
IUPAC Name 
[3,4,5-trihydroxy-6-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0036376HMDB