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CHEBI:203810 - BCA 5

ChEBI IDCHEBI:203810
ChEBI NameBCA 5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCOC1CCC(=O)C(CC2C(/C(C)=C\CC=C(C)C)=CCC2(C)O)=C1O
InChIInChI=1S/C22H32O4/c1-14(2)7-6-8-15(3)16-11-12-22(4,25)18(16)13-17-19(23)9-10-20(26-5)21(17)24/h7-8,11,18,20,24-25H,6,9-10,12-13H2,1-5H3/b15-8-
InChIKeyCKTFDSDDVYJNBS-NVNXTCNLSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
BCA 5 (CHEBI:203810) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-hydroxy-2-[[5-hydroxy-5-methyl-2-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-2-en-1-one
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