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CHEBI:222594 - Triticone B

Default Structure
ChEBI IDCHEBI:222594
ChEBI NameTriticone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO5
Net Charge0
Average Mass277.276
Monoisotopic Mass277.09502
SMILESC=C1C(=O)[C@@]2(C(=O)N1OC)/C(=C\CC)C=CC(=O)[C@H]2O
InChIInChI=1S/C14H15NO5/c1-4-5-9-6-7-10(16)12(18)14(9)11(17)8(2)15(20-3)13(14)19/h5-7,12,18H,2,4H2,1,3H3/b9-5-/t12-,14+/m1/s1
InChIKeyUVGXMQSQHURGBS-CMKQMZPSSA-N
Species of MetaboliteComponentSourceComments
Pyrenophora tritici-repentis (ncbitaxon:45151) - DOI (10.1021/ja00220a085)
ChEBI Ontology
Outgoing Relation(s)
Triticone B (CHEBI:222594) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5R,6Z,10S)-10-hydroxy-2-methoxy-3-methylidene-6-propylidene-2-azaspiro[4.5]dec-7-ene-1,4,9-trione
Manual XrefsDatabases
4950174ChemSpider