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CHEBI:213051 - Kandenol E

ChEBI IDCHEBI:213051
ChEBI NameKandenol E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC(=O)C[C@]2(C)C[C@@H](O)[C@H]3C[C@@]12OC3(C)C
InChIInChI=1S/C15H22O3/c1-9-5-10(16)6-14(4)8-12(17)11-7-15(9,14)18-13(11,2)3/h5,11-12,17H,6-8H2,1-4H3/t11-,12-,14-,15-/m1/s1
InChIKeyVSOIXBXUFYSVRL-QHSBEEBCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (23234344)
ChEBI Ontology
Outgoing Relation(s)
Kandenol E (CHEBI:213051) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,6S,8R,9R)-8-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-4-one
Manual XrefsDatabases
29215393ChemSpider