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CHEBI:212424 - Triticone E

ChEBI IDCHEBI:212424
ChEBI NameTriticone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO6
Net Charge0
Average Mass297.307
Monoisotopic Mass297.12124
SMILESCC/C=C1/C=CC(=O)[C@H](O)[C@]12C(=O)N(OC)[C@](C)(O)[C@@H]2O
InChIInChI=1S/C14H19NO6/c1-4-5-8-6-7-9(16)10(17)14(8)11(18)13(2,20)15(21-3)12(14)19/h5-7,10-11,17-18,20H,4H2,1-3H3/b8-5-/t10-,11-,13+,14+/m0/s1
InChIKeyFFIHXENRVXVAGQ-KZZKGCKGSA-N
Species of MetaboliteComponentSourceComments
Drechslera (ncbitaxon:33198) - DOI (10.1021/np50095a012)
ChEBI Ontology
Outgoing Relation(s)
Triticone E (CHEBI:212424) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(3R,4R,5S,6Z,10R)-3,4,10-trihydroxy-2-methoxy-3-methyl-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,9-dione
Manual XrefsDatabases
8442110ChemSpider