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CHEBI:204107 - Tricycloalternarene 9b

ChEBI IDCHEBI:204107
ChEBI NameTricycloalternarene 9b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILESCC(C)=CC/C=C(/C)C1CCC2(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/h6-7,15,17-18,22H,5,8-12H2,1-4H3/b14-7-
InChIKeyUUDIIQRXVMOKRV-AUWJEWJLSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 9b (CHEBI:204107) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7-hydroxy-3a-methyl-1-[(2Z)-6-methylhepta-2,5-dien-2-yl]-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
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78444067ChemSpider