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CHEBI:185745 - (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid

ChEBI IDCHEBI:185745
ChEBI Name(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESC/C=C(\C)C(=O)Oc1c(O)c(OC)c(O)c2c(=O)c(OC)c(-c3ccccc3)oc12
InChIInChI=1S/C22H20O8/c1-5-11(2)22(26)30-21-16(25)19(27-3)14(23)13-15(24)20(28-4)17(29-18(13)21)12-9-7-6-8-10-12/h5-10,23,25H,1-4H3/b11-5+
InChIKeyODAKJIXAIBHVIC-VZUCSPMQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid (CHEBI:185745) is a ether (CHEBI:25698)
(2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid (CHEBI:185745) is a flavonoids (CHEBI:72544)
IUPAC Name 
(5,7-dihydroxy-3,6-dimethoxy-4-oxo-2-phenylchromen-8-yl) (E)-2-methylbut-2-enoate
Manual XrefsDatabases
LMPK12113291LIPID MAPS
8986904ChemSpider