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CHEBI:202295 - Cephalanone A

ChEBI IDCHEBI:202295
ChEBI NameCephalanone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19ClO7
Net Charge0
Average Mass418.829
Monoisotopic Mass418.08193
SMILESCOc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(OC=C[C@@H](C)C(=O)O)c1C=O
InChIInChI=1S/C21H19ClO7/c1-11(21(26)27)7-8-29-16-6-4-5-13(14(16)10-23)19(25)17-15(24)9-12(2)18(22)20(17)28-3/h4-11,24H,1-3H3,(H,26,27)/t11-/m1/s1
InChIKeyGAZYEUATOWFTEU-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Graphiopsis chlorocephala (ncbitaxon:166631) - PubMed (23578108)
ChEBI Ontology
Outgoing Relation(s)
Cephalanone A (CHEBI:202295) is a benzophenones (CHEBI:22726)
IUPAC Name 
(2R)-4-[3-(3-chloro-6-hydroxy-2-methoxy-4-methylbenzoyl)-2-ormylphenoxy]-2-methylbut-3-enoic acid