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CHEBI:199742 - BCA 8

ChEBI IDCHEBI:199742
ChEBI NameBCA 8
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SubmitterMetaboLights
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FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESC/C(=C/C/C=C(\C)CO)C1=CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
InChIInChI=1S/C21H30O5/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/h5-6,9,17,19,22,24-26H,4,7-8,10-12H2,1-3H3/b13-5+,14-6-
InChIKeyQRYXQJUTSISTPF-LSMSNJBFSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
BCA 8 (CHEBI:199742) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3,4-dihydroxy-2-[[5-hydroxy-2-[(2Z,5E)-7-hydroxy-6-methylhepta-2,5-dien-2-yl]-5-methylcyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one
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