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CHEBI:203618 - BCA 6

ChEBI IDCHEBI:203618
ChEBI NameBCA 6
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O6
Net Charge0
Average Mass382.497
Monoisotopic Mass382.23554
SMILESCC(CCC(O)C(C)(C)O)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
InChIInChI=1S/C21H34O6/c1-12(5-8-18(24)20(2,3)26)13-9-10-21(4,27)15(13)11-14-16(22)6-7-17(23)19(14)25/h9,12,15,17-18,23-27H,5-8,10-11H2,1-4H3
InChIKeyFIXRZLUOASIPBK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
BCA 6 (CHEBI:203618) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[[2-(5,6-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-5-methylcyclopent-2-en-1-yl]methyl]-3,4-dihydroxycyclohex-2-en-1-one
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