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CHEBI:227929 - Bellidisin D

ChEBI IDCHEBI:227929
ChEBI NameBellidisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O7
Net Charge0
Average Mass354.399
Monoisotopic Mass354.16785
SMILESCCC[C@H]1OC(=O)[C@@H](OC(=O)/C=C/[C@@H]2O[C@H]2C)CC/C=C/[C@H](O)[C@@H]1O
InChIInChI=1S/C18H26O7/c1-3-6-14-17(21)12(19)7-4-5-8-15(18(22)25-14)24-16(20)10-9-13-11(2)23-13/h4,7,9-15,17,19,21H,3,5-6,8H2,1-2H3/b7-4+,10-9+/t11-,12-,13-,14+,15-,17-/m0/s1
InChIKeyNCVMEALWQIYJKE-NENNPKEPSA-N
Species of MetaboliteComponentSourceComments
Didymella bellidis (ncbitaxon:749649) - DOI (10.1016/j.phytol.2018.11.012)
ChEBI Ontology
Outgoing Relation(s)
Bellidisin D (CHEBI:227929) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(2R,3S,4S,5E,9S)-3,4-dihydroxy-10-oxo-2-propyl-2,3,4,7,8,9-hexahydrooxecin-9-yl] (E)-3-[(2S,3S)-3-methyloxiran-2-yl]prop-2-enoate