EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227163 - Penipyrol B

ChEBI IDCHEBI:227163
ChEBI NamePenipyrol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILESCCc1cc(-c2ccc(C)c(=O)o2)cc(C)c1OC(C)=O
InChIInChI=1S/C17H18O4/c1-5-13-9-14(8-11(3)16(13)20-12(4)18)15-7-6-10(2)17(19)21-15/h6-9H,5H2,1-4H3
InChIKeyIUADVOOXUKGGCD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium solitum (ncbitaxon:60172) - PubMed (25370608)
ChEBI Ontology
Outgoing Relation(s)
Penipyrol B (CHEBI:227163) is a benzoate ester (CHEBI:36054)
Penipyrol B (CHEBI:227163) is a phenols (CHEBI:33853)
IUPAC Name 
[2-ethyl-6-methyl-4-(5-methyl-6-oxopyran-2-yl)phenyl] acetate
Manual XrefsDatabases
44210755ChemSpider