EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214991 - Monapilonitrile A

ChEBI IDCHEBI:214991
ChEBI NameMonapilonitrile A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO4
Net Charge0
Average Mass353.418
Monoisotopic Mass353.16271
SMILESC/C=C/C1=CC2=C/C(=C(/C#N)C(=O)CCCCC)[C@](C)(O)C(=O)C2=CO1
InChIInChI=1S/C21H23NO4/c1-4-6-7-9-19(23)16(12-22)18-11-14-10-15(8-5-2)26-13-17(14)20(24)21(18,3)25/h5,8,10-11,13,25H,4,6-7,9H2,1-3H3/b8-5+,18-16+/t21-/m0/s1
InChIKeyOPGAFYAYCFPNQM-HNZGMQNFSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - DOI (10.1016/j.phytol.2020.04.014)
ChEBI Ontology
Outgoing Relation(s)
Monapilonitrile A (CHEBI:214991) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E)-2-[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]isochromen-6-ylidene]-3-oxooctanenitrile