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CHEBI:226579 - Bicycloalternarene C

ChEBI IDCHEBI:226579
ChEBI NameBicycloalternarene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESC/C(=C\CCC(C)(O)[C@@H]1CC2=C(O1)[C@H](O)CCC2=O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(24)25)7-5-11-21(3,26)18-12-15-16(22)9-10-17(23)19(15)27-18/h7-8,17-18,23,26H,4-6,9-12H2,1-3H3,(H,24,25)/b13-7+,14-8+/t17-,18+,21?/m1/s1
InChIKeyQETAPCLLJJFFKU-HMFUMYEMSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Bicycloalternarene C (CHEBI:226579) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E,6E)-10-hydroxy-10-[(2S,7R)-7-hydroxy-4-oxo-3,5,6,7-tetrahydro-2H-1-benzouran-2-yl]-2,6-dimethylundeca-2,6-dienoic acid
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