EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210534 - Isoomphadione

ChEBI IDCHEBI:210534
ChEBI NameIsoomphadione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILESC[C@H]1C(=O)C=C2[C@@H]1CC(C)(C)C(=O)[C@@H]1C[C@]21C
InChIInChI=1S/C15H20O2/c1-8-9-6-14(2,3)13(17)11-7-15(11,4)10(9)5-12(8)16/h5,8-9,11H,6-7H2,1-4H3/t8-,9-,11+,15-/m1/s1
InChIKeyJMDSVFSLIQKRFD-LIEMUPCESA-N
Species of MetaboliteComponentSourceComments
Omphalotus illudens (ncbitaxon:85975) - DOI (10.1016/s0031-9422(02)00205-4)
ChEBI Ontology
Outgoing Relation(s)
Isoomphadione (CHEBI:210534) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aR,4aR,5R,7bS)-3,3,5,7b-tetramethyl-1a,4,4a,5-tetrahydro-1H-cyclopropa[e]azulene-2,6-dione
Manual XrefsDatabases
552520ChemSpider