EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206146 - Trypilepyrazinol

ChEBI IDCHEBI:206146
ChEBI NameTrypilepyrazinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21N3O2
Net Charge0
Average Mass311.385
Monoisotopic Mass311.16338
SMILESCC[C@H](C)c1nc(OC)c(Cc2cnc3ccccc23)nc1=O
InChIInChI=1S/C18H21N3O2/c1-4-11(2)16-17(22)20-15(18(21-16)23-3)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,4,9H2,1-3H3,(H,20,22)/t11-/m0/s1
InChIKeyXADABARFXGVGAG-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31382398)
ChEBI Ontology
Outgoing Relation(s)
Trypilepyrazinol (CHEBI:206146) is a indoles (CHEBI:24828)
IUPAC Name 
3-[(2S)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-5-methoxy-1H-pyrazin-2-one
Manual XrefsDatabases
77005955ChemSpider