EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207567 - Neovasipyridone B

ChEBI IDCHEBI:207567
ChEBI NameNeovasipyridone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35NO3
Net Charge0
Average Mass349.515
Monoisotopic Mass349.26169
SMILESCCC(=O)C1=CN(CCC(C)C)C(/C(C)=C/C(C)CC)C(C)(O)C1=O
InChIInChI=1S/C21H35NO3/c1-8-15(5)12-16(6)19-21(7,25)20(24)17(18(23)9-2)13-22(19)11-10-14(3)4/h12-15,19,25H,8-11H2,1-7H3/b16-12+
InChIKeyQBQYFCPQNQEGCP-FOWTUZBSSA-N
Species of MetaboliteComponentSourceComments
Fusarium neocosmosporiellum (ncbitaxon:1325723) - DOI (10.1016/0031-9422(95)00493-q)
ChEBI Ontology
Outgoing Relation(s)
Neovasipyridone B (CHEBI:207567) is a tetrahydropyridine (CHEBI:26921)
IUPAC Name 
3-hydroxy-3-methyl-1-(3-methylbutyl)-2-[(E)-4-methylhex-2-en-2-yl]-5-propanoyl-2H-pyridin-4-one
Manual XrefsDatabases
78444814ChemSpider