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CHEBI:202673 - Xylaranone

ChEBI IDCHEBI:202673
ChEBI NameXylaranone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILESC=C(C)[C@H]1CC[C@](C)(O)[C@H]2CC(=O)[C@@H](C)[C@H]2C1
InChIInChI=1S/C15H24O2/c1-9(2)11-5-6-15(4,17)13-8-14(16)10(3)12(13)7-11/h10-13,17H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15-/m0/s1
InChIKeyBVYREQQJQGBFFO-AIUMHDJVSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia nummularia (ncbitaxon:97378) - PubMed (22486738)
ChEBI Ontology
Outgoing Relation(s)
Xylaranone (CHEBI:202673) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,3aS,5S,8S,8aS)-8-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one
Manual XrefsDatabases
78436904ChemSpider