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CHEBI:227923 - Bellidisin B

Default Structure
ChEBI IDCHEBI:227923
ChEBI NameBellidisin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O7
Net Charge0
Average Mass380.437
Monoisotopic Mass380.18350
SMILESC/C=C/C=C/C(=O)O[C@H]1CC/C=C/[C@H](OC(C)=O)[C@H](O)[C@@H](CCC)OC1=O
InChIInChI=1S/C20H28O7/c1-4-6-7-13-18(22)26-17-12-9-8-11-16(25-14(3)21)19(23)15(10-5-2)27-20(17)24/h4,6-8,11,13,15-17,19,23H,5,9-10,12H2,1-3H3/b6-4+,11-8+,13-7+/t15-,16+,17+,19-/m1/s1
InChIKeyWLZRYJJQSQDHOT-QCBHEWSLSA-N
Species of MetaboliteComponentSourceComments
Didymella bellidis (ncbitaxon:749649) - DOI (10.1016/j.phytol.2018.11.012)
ChEBI Ontology
Outgoing Relation(s)
Bellidisin B (CHEBI:227923) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(2R,3R,4S,5E,9S)-4-acetyloxy-3-hydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (2E,4E)-hexa-2,4-dienoate