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CHEBI:201971 - BCA 2

ChEBI IDCHEBI:201971
ChEBI NameBCA 2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC/C(=C\CCC(C)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O)CO
InChIInChI=1S/C21H32O5/c1-13(12-22)5-4-6-14(2)15-9-10-21(3,26)17(15)11-16-18(23)7-8-19(24)20(16)25/h5,9,14,17,19,22,24-26H,4,6-8,10-12H2,1-3H3/b13-5+
InChIKeyXBVHZBUTYNALBK-WLRTZDKTSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
BCA 2 (CHEBI:201971) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3,4-dihydroxy-2-[[5-hydroxy-2-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one
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