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CHEBI:204509 - Berkeleyamide C

ChEBI IDCHEBI:204509
ChEBI NameBerkeleyamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26N2O6
Net Charge0
Average Mass414.458
Monoisotopic Mass414.17909
SMILESCC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)cn1CCO
InChIInChI=1S/C22H26N2O6/c1-14(2)11-20(28)23-22(29)17-13-24(9-10-25)18(12-19(17)27)21(30-15(3)26)16-7-5-4-6-8-16/h4-8,12-14,21,25H,9-11H2,1-3H3,(H,23,28,29)/t21-/m0/s1
InChIKeySORSUPGCQWSYDP-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Talaromyces ruber (ncbitaxon:1266769) - PubMed (18330993)
ChEBI Ontology
Outgoing Relation(s)
Berkeleyamide C (CHEBI:204509) has functional parent benzyl alcohol (CHEBI:17987)
Berkeleyamide C (CHEBI:204509) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[[1-(2-hydroxyethyl)-5-(3-methylbutanoylcarbamoyl)-4-oxopyridin-2-yl]-phenylmethyl] acetate
Manual XrefsDatabases
24694048ChemSpider