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CHEBI:212132 - Bicycloalternarene 8

ChEBI IDCHEBI:212132
ChEBI NameBicycloalternarene 8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESC/C(=C/C/C=C(\C)CO)C1CCC(C)(O)C1CC1=C(O)C(O)CCC1=O
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/h5-6,15,17,19,22,24-26H,4,7-12H2,1-3H3/b13-5+,14-6-
InChIKeyBCZAAGAISAGJPS-LSMSNJBFSA-N
Species of MetaboliteComponentSourceComments
Alternaria alternata (ncbitaxon:5599) - DOI (10.1016/s0031-9422(00)00268-5)
ChEBI Ontology
Outgoing Relation(s)
Bicycloalternarene 8 (CHEBI:212132) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3,4-dihydroxy-2-[[2-hydroxy-5-[(2Z,5E)-7-hydroxy-6-methylhepta-2,5-dien-2-yl]-2-methylcyclopentyl]methyl]cyclohex-2-en-1-one
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