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CHEBI:204874 - Tricycloalternarene 5a

ChEBI IDCHEBI:204874
ChEBI NameTricycloalternarene 5a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCOC1CCC(=O)C2=C1OC1(C)CCC(/C(C)=C/CC=C(C)C)C1C2
InChIInChI=1S/C22H32O3/c1-14(2)7-6-8-15(3)16-11-12-22(4)18(16)13-17-19(23)9-10-20(24-5)21(17)25-22/h7-8,16,18,20H,6,9-13H2,1-5H3/b15-8+
InChIKeyJJBNVJUBVPIBPQ-OVCLIPMQSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(97)00278-1)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 5a (CHEBI:204874) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-methoxy-3a-methyl-1-[(2E)-6-methylhepta-2,5-dien-2-yl]-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
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78443830ChemSpider