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CHEBI:199598 - N-methoxyseptorinol

ChEBI IDCHEBI:199598
ChEBI NameN-methoxyseptorinol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O5
Net Charge0
Average Mass334.372
Monoisotopic Mass334.15287
SMILESCCC(C)c1nc(OC)c(C(O)c2ccc(O)cc2)n(OC)c1=O
InChIInChI=1S/C17H22N2O5/c1-5-10(2)13-17(22)19(24-4)14(16(18-13)23-3)15(21)11-6-8-12(20)9-7-11/h6-10,15,20-21H,5H2,1-4H3
InChIKeyMWAGOLSZSGXJKX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum (ncbitaxon:13684) - PubMed (13939784)
ChEBI Ontology
Outgoing Relation(s)
N-methoxyseptorinol (CHEBI:199598) is a aromatic ether (CHEBI:35618)
N-methoxyseptorinol (CHEBI:199598) is a pyrazines (CHEBI:38314)
IUPAC Name 
3-butan-2-yl-6-[hydroxy-(4-hydroxyphenyl)methyl]-1,5-dimethoxypyrazin-2-one
Manual XrefsDatabases
9934127ChemSpider