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CHEBI:212513 - Cephalanone C

ChEBI IDCHEBI:212513
ChEBI NameCephalanone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1cc(C)cc(O)c1C(=O)c1cccc(OC=C[C@@H](C)C(=O)O)c1C=O
InChIInChI=1S/C21H20O7/c1-12-9-16(23)19(18(10-12)27-3)20(24)14-5-4-6-17(15(14)11-22)28-8-7-13(2)21(25)26/h4-11,13,23H,1-3H3,(H,25,26)/t13-/m1/s1
InChIKeyQLMLRTCODOKNMY-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Graphiopsis chlorocephala (ncbitaxon:166631) - PubMed (23578108)
ChEBI Ontology
Outgoing Relation(s)
Cephalanone C (CHEBI:212513) is a benzophenones (CHEBI:22726)
IUPAC Name 
(2R)-4-[2-ormyl-3-(2-hydroxy-6-methoxy-4-methylbenzoyl)phenoxy]-2-methylbut-3-enoic acid