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CHEBI:204774 - Tricycloalternarene 4b

ChEBI IDCHEBI:204774
ChEBI NameTricycloalternarene 4b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCOC1CCC2=C(CC3C(C(C)CCC=C(C)C)=CCC3(C)O2)C1=O
InChIInChI=1S/C22H32O3/c1-14(2)7-6-8-15(3)16-11-12-22(4)18(16)13-17-19(25-22)9-10-20(24-5)21(17)23/h7,11,15,18,20H,6,8-10,12-13H2,1-5H3
InChIKeySCZSSESJVCCONT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(97)00278-1)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 4b (CHEBI:204774) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7-methoxy-3a-methyl-1-(6-methylhept-5-en-2-yl)-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
8935225ChemSpider