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CHEBI:205738 - Tricycloalternarene 6a

ChEBI IDCHEBI:205738
ChEBI NameTricycloalternarene 6a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCC(CCC(O)C(C)(C)O)C1=CCC2(C)OC3=C(CC12)C(=O)CCC3O
InChIInChI=1S/C21H32O5/c1-12(5-8-18(24)20(2,3)25)13-9-10-21(4)15(13)11-14-16(22)6-7-17(23)19(14)26-21/h9,12,15,17-18,23-25H,5-8,10-11H2,1-4H3
InChIKeyJTDRYGZNULUXEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(99)00275-7)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 6a (CHEBI:205738) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
1-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one
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78443645ChemSpider