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CHEBI:227925 - Bellidisin C

ChEBI IDCHEBI:227925
ChEBI NameBellidisin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESC/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@H](O)[C@H](O)[C@@H](CCCCC)OC1=O
InChIInChI=1S/C20H30O6/c1-3-5-7-12-16-19(23)15(21)11-9-10-13-17(20(24)26-16)25-18(22)14-8-6-4-2/h4,6,8-9,11,14-17,19,21,23H,3,5,7,10,12-13H2,1-2H3/b6-4+,11-9+,14-8+/t15-,16+,17-,19-/m0/s1
InChIKeyKLEXOSKWMXZDAR-MDTMBGCASA-N
Species of MetaboliteComponentSourceComments
Didymella bellidis (ncbitaxon:749649) - DOI (10.1016/j.phytol.2018.11.012)
ChEBI Ontology
Outgoing Relation(s)
Bellidisin C (CHEBI:227925) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,4S,5E,9S)-3,4-dihydroxy-10-oxo-2-pentyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate