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CHEBI:201824 - Capnodiumone

ChEBI IDCHEBI:201824
ChEBI NameCapnodiumone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESCC(=O)O[C@@H]1[C@@H]2O[C@@H]2C2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C
InChIInChI=1S/C17H22O4/c1-8(2)11-7-17(5)9(3)14(20-10(4)18)16-15(21-16)12(17)6-13(11)19/h6,9,14-16H,7H2,1-5H3/t9-,14-,15+,16-,17+/m0/s1
InChIKeyMTKFYFUMRDWILS-LCSQBETGSA-N
Species of MetaboliteComponentSourceComments
Capnodiumspecies SZ-F22 (ncbitaxon:1765959) - PubMed (26615670)
ChEBI Ontology
Outgoing Relation(s)
Capnodiumone (CHEBI:201824) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1aS,2S,3R,3aR,7bR)-3,3a-dimethyl-6-oxo-5-propan-2-ylidene-2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxiren-2-yl] acetate
Manual XrefsDatabases
58196877ChemSpider