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CHEBI:185375 - Cannflavin A

ChEBI IDCHEBI:185375
ChEBI NameCannflavin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O6
Net Charge0
Average Mass436.504
Monoisotopic Mass436.18859
SMILESCOc1cc(-c2cc(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3o2)ccc1O
InChIInChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-24-25(26(18)30)21(29)14-22(32-24)17-9-11-19(27)23(12-17)31-4/h6,8-9,11-14,27-28,30H,5,7,10H2,1-4H3/b16-8+
InChIKeyMWGFICMOCSIQMV-LZYBPNLTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cannflavin A (CHEBI:185375) is a flavones (CHEBI:24043)
IUPAC Name 
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
8247235ChemSpider
LMPK12110794LIPID MAPS
Registry NumbersSources
CAS:76735-57-4ChemIDplus