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CHEBI:199301 - 3-epi-petasol

ChEBI IDCHEBI:199301
ChEBI Name3-epi-petasol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H](O)[C@@H]2C
InChIInChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12-,13-,15+/m0/s1
InChIKeyAJFPOVBARCSOLH-GZCFXPHUSA-N
Species of MetaboliteComponentSourceComments
Sarcographa tricosa (ncbitaxon:1232551) - PubMed (22285621)
ChEBI Ontology
Outgoing Relation(s)
3-epi-petasol (CHEBI:199301) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
78441978ChemSpider