Triticone E (CHEBI:212424)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Triticone E

ChEBI ID	CHEBI:212424

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H19NO6

Net Charge

Average Mass

297.307

Monoisotopic Mass

297.12124

InChI

InChI=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

InChIKey

FFIHXENRVXVAGQ-KZZKGCKGSA-N

SMILES

O=C1C=C/C(=C/CC)/[C@]2([C@H]1O)C(=O)N(OC)[C@@]([C@@H]2O)(O)C

Metabolite of Species	Details
Drechslera (NCBI:txid33198)	See: DOI

ChEBI Ontology
Outgoing	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