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CHEBI:207063 - Cephalanone B

Default Structure
ChEBI IDCHEBI:207063
ChEBI NameCephalanone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19ClO8
Net Charge0
Average Mass434.828
Monoisotopic Mass434.07685
SMILESCOc1c(Cl)c(C)cc(O)c1C(=O)c1cccc(OC=C[C@@H](C)C(=O)O)c1C(=O)O
InChIInChI=1S/C21H19ClO8/c1-10(20(25)26)7-8-30-14-6-4-5-12(15(14)21(27)28)18(24)16-13(23)9-11(2)17(22)19(16)29-3/h4-10,23H,1-3H3,(H,25,26)(H,27,28)/t10-/m1/s1
InChIKeyYQNKIXXARYJTMX-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Graphiopsis chlorocephala (ncbitaxon:166631) - PubMed (23578108)
ChEBI Ontology
Outgoing Relation(s)
Cephalanone B (CHEBI:207063) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-[(3R)-3-carboxybut-1-enoxy]-6-(3-chloro-6-hydroxy-2-methoxy-4-methylbenzoyl)benzoic acid