CHEBI:212132 - Bicycloalternarene 8

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bicycloalternarene 8
ChEBI ID CHEBI:212132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O5
Net Charge 0
Average Mass 364.482
Monoisotopic Mass 364.22497
InChI InChI=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-
InChIKey BCZAAGAISAGJPS-LSMSNJBFSA-N
SMILES O=C1C(=C(O)C(O)CC1)CC2C(O)(CCC2/C(=C\C/C=C(/CO)\C)/C)C
Metabolite of Species Details
Alternaria alternata (NCBI:txid5599) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78443681 ChemSpider
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