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CHEBI:208253 - BCA 7

ChEBI IDCHEBI:208253
ChEBI NameBCA 7
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SubmitterMetaboLights
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FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCOC1CCC(=O)C(CC2C(C(C)CCC(O)C(C)(C)O)=CCC2(C)O)=C1O
InChIInChI=1S/C22H36O6/c1-13(6-9-19(24)21(2,3)26)14-10-11-22(4,27)16(14)12-15-17(23)7-8-18(28-5)20(15)25/h10,13,16,18-19,24-27H,6-9,11-12H2,1-5H3
InChIKeyCKCJMUOWEZXQTL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
BCA 7 (CHEBI:208253) 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-hydroxy-4-methoxycyclohex-2-en-1-one
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