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CHEBI:185695 - Didymocalyxin B

ChEBI IDCHEBI:185695
ChEBI NameDidymocalyxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H22O7
Net Charge0
Average Mass470.477
Monoisotopic Mass470.13655
SMILESCOc1c(O)c(C(=O)/C=C/c2ccccc2)c2oc(O)c(C(=O)/C=C/c3ccccc3)c2c1OC
InChIInChI=1S/C28H22O7/c1-33-26-23-21(19(29)15-13-17-9-5-3-6-10-17)28(32)35-25(23)22(24(31)27(26)34-2)20(30)16-14-18-11-7-4-8-12-18/h3-16,31-32H,1-2H3/b15-13+,16-14+
InChIKeyQNVPSFXWYIBJBF-WXUKJITCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Didymocalyxin B (CHEBI:185695) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-1-[2,6-dihydroxy-4,5-dimethoxy-7-[(E)-3-phenylprop-2-enoyl]-1-benzouran-3-yl]-3-phenylprop-2-en-1-one
Manual XrefsDatabases
LMPK12120331LIPID MAPS
4880552ChemSpider