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CHEBI:226552 - 11-O-methylpetasitol

ChEBI IDCHEBI:226552
ChEBI Name11-O-methylpetasitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILESCOC(C)(C)C1=C[C@@]2(C)C(=CC1=O)CC[C@@H](O)[C@@H]2C
InChIInChI=1S/C16H24O3/c1-10-13(17)7-6-11-8-14(18)12(9-16(10,11)4)15(2,3)19-5/h8-10,13,17H,6-7H2,1-5H3/t10-,13+,16+/m0/s1
InChIKeyBPKIRHCZBVPYKX-OWRWGESLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29066796)
ChEBI Ontology
Outgoing Relation(s)
11-O-methylpetasitol (CHEBI:226552) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aR,5R,6R)-6-hydroxy-3-(2-methoxypropan-2-yl)-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
Manual XrefsDatabases
78441595ChemSpider