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CHEBI:199875 - Inonofarnesane

ChEBI IDCHEBI:199875
ChEBI NameInonofarnesane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C1C[C@@H](O)CC(C)(C)[C@@H]1/C=C/C1=CC(=O)OC1
InChIInChI=1S/C15H20O3/c1-10-6-12(16)8-15(2,3)13(10)5-4-11-7-14(17)18-9-11/h4-5,7,12-13,16H,1,6,8-9H2,2-3H3/b5-4+/t12-,13-/m1/s1
InChIKeyUIHDTNVVJIKGAY-IJWDBEHRSA-N
Species of MetaboliteComponentSourceComments
Inonotusspecies BCC 23706 (ncbitaxon:1617631) - PubMed (26307664)
ChEBI Ontology
Outgoing Relation(s)
Inonofarnesane (CHEBI:199875) is a butenolide (CHEBI:50523)
IUPAC Name 
3-[(E)-2-[(1S,4S)-4-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethenyl]-2H-uran-5-one
Manual XrefsDatabases
78441981ChemSpider