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CHEBI:214988 - Tricycloalternarene 4a

ChEBI IDCHEBI:214988
ChEBI NameTricycloalternarene 4a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCOC1CCC(=O)C2=C1OC1(C)CC=C(C(C)CCC=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/h7,11,15,18,20H,6,8-10,12-13H2,1-5H3
InChIKeyKTFDSGHEJVHEAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(97)00278-1)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 4a (CHEBI:214988) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-methoxy-3a-methyl-1-(6-methylhept-5-en-2-yl)-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
8673055ChemSpider