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CHEBI:218172 - Cephalanone E

ChEBI IDCHEBI:218172
ChEBI NameCephalanone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOC1Oc2cc(C)cc(O)c2C(=O)c2cccc(OC=C[C@@H](C)C(=O)O)c21
InChIInChI=1S/C21H20O7/c1-11-9-14(22)18-16(10-11)28-21(26-3)17-13(19(18)23)5-4-6-15(17)27-8-7-12(2)20(24)25/h4-10,12,21-22H,1-3H3,(H,24,25)/t12-,21?/m1/s1
InChIKeyWDRGDZSPYQAYRY-FXADVQPWSA-N
Species of MetaboliteComponentSourceComments
Graphiopsis chlorocephala (ncbitaxon:166631) - PubMed (23578108)
ChEBI Ontology
Outgoing Relation(s)
Cephalanone E (CHEBI:218172) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(2R)-4-[(1-hydroxy-6-methoxy-3-methyl-11-oxo-6H-benzo[c][1]benzoxepin-7-yl)oxy]-2-methylbut-3-enoic acid