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CHEBI:191693 - 6''-O-Caffeoylastragalin

ChEBI IDCHEBI:191693
ChEBI Name6''-O-Caffeoylastragalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O14
Net Charge0
Average Mass610.524
Monoisotopic Mass610.13226
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+
InChIKeyGZORMMCZSCNNCI-KRXBUXKQSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
6''-O-Caffeoylastragalin (CHEBI:191693) is a flavonoid (CHEBI:47916)
6''-O-Caffeoylastragalin (CHEBI:191693) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0030239HMDB