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CHEBI:220150 - Tricycloalternarene 3b

ChEBI IDCHEBI:220150
ChEBI NameTricycloalternarene 3b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESCC(C)=CCCC(C)C1=CCC2(C)OC3=C(CC12)C(=O)C(O)CC3
InChIInChI=1S/C21H30O3/c1-13(2)6-5-7-14(3)15-10-11-21(4)17(15)12-16-19(24-21)9-8-18(22)20(16)23/h6,10,14,17-18,22H,5,7-9,11-12H2,1-4H3
InChIKeyJNGUWPGWCNEMPR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(97)00278-1)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 3b (CHEBI:220150) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7-hydroxy-3a-methyl-1-(6-methylhept-5-en-2-yl)-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
4481770ChemSpider