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CHEBI:228564 - 6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one

ChEBI IDCHEBI:228564
ChEBI Name6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14F3NO5
Net Charge0
Average Mass381.306
Monoisotopic Mass381.08241
SMILESCOc1cc2c(=O)oc(-c3cccc(C(F)(F)F)c3)nc2c(OC)c1OC
InChIInChI=1S/C18H14F3NO5/c1-24-12-8-11-13(15(26-3)14(12)25-2)22-16(27-17(11)23)9-5-4-6-10(7-9)18(19,20)21/h4-8H,1-3H3
InChIKeyZPOURYQKLMLCDV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one (CHEBI:228564) is a benzoxazine (CHEBI:46969)
IUPAC Name 
6,7,8-trimethoxy-2-[3-(triluoromethyl)phenyl]-3,1-benzoxazin-4-one
Manual XrefsDatabases
2077899ChemSpider