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CHEBI:228060 - Rigidoporone A

ChEBI IDCHEBI:228060
ChEBI NameRigidoporone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(CO)[C@@H]1CC[C@@](C)(O)[C@H]2CC(=O)C(C)=C[C@@H]12
InChIInChI=1S/C15H22O3/c1-9-6-12-11(10(2)8-16)4-5-15(3,18)13(12)7-14(9)17/h6,11-13,16,18H,2,4-5,7-8H2,1,3H3/t11-,12-,13-,15+/m0/s1
InChIKeyORRUPXSXQNQZLJ-PWNZVWSESA-N
Species of MetaboliteComponentSourceComments
Rigidoporus microporus (ncbitaxon:219653) - DOI (10.1016/j.phytol.2019.05.016)
ChEBI Ontology
Outgoing Relation(s)
Rigidoporone A (CHEBI:228060) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aS,5R,8R,8aS)-8-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-3,8-dimethyl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one