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CHEBI:205682 - Nectriatone A

ChEBI IDCHEBI:205682
ChEBI NameNectriatone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESC=C[C@]1(C)C=C([C@@H]2OCC3=CCCC(C)(C)[C@@H]3C2=O)C(=O)CC1
InChIInChI=1S/C20H26O3/c1-5-20(4)10-8-15(21)14(11-20)18-17(22)16-13(12-23-18)7-6-9-19(16,2)3/h5,7,11,16,18H,1,6,8-10,12H2,2-4H3/t16-,18-,20-/m0/s1
InChIKeyOBEMDIWOJBJBGY-QRFRQXIXSA-N
Species of MetaboliteComponentSourceComments
Nectriaspecies B-13 (ncbitaxon:2020480) - PubMed (29911892)
ChEBI Ontology
Outgoing Relation(s)
Nectriatone A (CHEBI:205682) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,4aS)-3-[(3R)-3-ethenyl-3-methyl-6-oxocyclohexen-1-yl]-5,5-dimethyl-1,4a,6,7-tetrahydroisochromen-4-one