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CHEBI:191789 - 6''-Caffeoylisoorientin

ChEBI IDCHEBI:191789
ChEBI Name6''-Caffeoylisoorientin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O14
Net Charge0
Average Mass610.524
Monoisotopic Mass610.13226
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(O)C1O
InChIInChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+
InChIKeyAINXWDZMEIYUSK-QHHAFSJGSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
6''-Caffeoylisoorientin (CHEBI:191789) is a C-glycosyl compound (CHEBI:20857)
6''-Caffeoylisoorientin (CHEBI:191789) is a flavonoids (CHEBI:72544)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0033004HMDB
35013521ChemSpider