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CHEBI:191517 - 6''-O-Malonyldaidzin

ChEBI IDCHEBI:191517
ChEBI Name6''-O-Malonyldaidzin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O12
Net Charge0
Average Mass502.428
Monoisotopic Mass502.11113
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)16-8-15(26)14-6-5-13(7-17(14)35-16)34-24-23(32)22(31)21(30)18(36-24)10-33-20(29)9-19(27)28/h1-8,18,21-25,30-32H,9-10H2,(H,27,28)/t18-,21-,22+,23-,24-/m1/s1
InChIKeyUQNSTSYLXZNHSJ-REXJZNOJSA-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-Malonyldaidzin (CHEBI:191517) is a flavonoids (CHEBI:72544)
6''-O-Malonyldaidzin (CHEBI:191517) is a glycoside (CHEBI:24400)
IUPAC Name 
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Manual XrefsDatabases
28637993ChemSpider