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CHEBI:227919 - Bellidisin A

ChEBI IDCHEBI:227919
ChEBI NameBellidisin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O7
Net Charge0
Average Mass368.426
Monoisotopic Mass368.18350
SMILESC/C=C/C=C/C(=O)O[C@H]1CC[C@@H](OC)[C@@H]2C(=O)[C@H](O)[C@@H](CCC)O[C@]12O
InChIInChI=1S/C19H28O7/c1-4-6-7-9-15(20)25-14-11-10-12(24-3)16-18(22)17(21)13(8-5-2)26-19(14,16)23/h4,6-7,9,12-14,16-17,21,23H,5,8,10-11H2,1-3H3/b6-4+,9-7+/t12-,13-,14+,16-,17-,19-/m1/s1
InChIKeyQQPNIEGOHYRUOM-CAMNCOELSA-N
Species of MetaboliteComponentSourceComments
Didymella bellidis (ncbitaxon:749649) - DOI (10.1016/j.phytol.2018.11.012)
ChEBI Ontology
Outgoing Relation(s)
Bellidisin A (CHEBI:227919) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
[(2R,3R,4aR,5R,8S,8aS)-3,8a-dihydroxy-5-methoxy-4-oxo-2-propyl-3,4a,5,6,7,8-hexahydro-2H-chromen-8-yl] (2E,4E)-hexa-2,4-dienoate