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CHEBI:221992 - Bicycloalternarene F

ChEBI IDCHEBI:221992
ChEBI NameBicycloalternarene F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILESC/C(=C\CC[C@]1(C)OC2=C(C[C@@H]1O)C(=O)CC[C@H]2O)CC/C=C(\C)C(=O)O
InChIInChI=1S/C21H30O6/c1-13(6-4-8-14(2)20(25)26)7-5-11-21(3)18(24)12-15-16(22)9-10-17(23)19(15)27-21/h7-8,17-18,23-24H,4-6,9-12H2,1-3H3,(H,25,26)/b13-7+,14-8+/t17-,18+,21+/m1/s1
InChIKeyIJYNRXGMDZDCJS-IBHBTLNGSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies JJY-32 (ncbitaxon:911659) - PubMed (24128115)
ChEBI Ontology
Outgoing Relation(s)
Bicycloalternarene F (CHEBI:221992) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2E,6E)-9-[(2S,3S,8R)-3,8-dihydroxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-chromen-2-yl]-2,6-dimethylnona-2,6-dienoic acid
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30771205ChemSpider