CHEBI:173720 - Petasitolone

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ChEBI Name Petasitolone
ChEBI ID CHEBI:173720
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H24O2
Net Charge 0
Average Mass 236.355
Monoisotopic Mass 236.17763
InChI InChI=1S/C15H24O2/c1-10-6-5-7-11-8-13(16)12(14(2,3)17)9-15(10,11)4/h9-11,17H,5-8H2,1-4H3/t10-,11+,15+/m0/s1
InChIKey LYFRYUAWUBLCKH-FIXISWKDSA-N
SMILES O=C1C[C@@]2([C@@]([C@H](CCC2)C)(C=C1C(O)(C)C)C)[H]
ChEBI Ontology
Outgoing Petasitolone (CHEBI:173720) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-1,5,6,7,8,8a-hexahydronaphthalen-2-one
Manual Xref Database
4478569 ChemSpider
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Registry Number Type Source
35124-22-2 CAS Registry Number ChemIDplus