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CHEBI:189283 - Berkeleyamide B

ChEBI IDCHEBI:189283
ChEBI NameBerkeleyamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO6
Net Charge0
Average Mass371.389
Monoisotopic Mass371.13689
SMILESCC(=O)OC(c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1
InChIInChI=1S/C20H21NO6/c1-12(2)9-18(24)21-20(25)15-11-26-17(10-16(15)23)19(27-13(3)22)14-7-5-4-6-8-14/h4-8,10-12,19H,9H2,1-3H3,(H,21,24,25)
InChIKeyVDFNZTMTSRBUGD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Berkeleyamide B (CHEBI:189283) has functional parent benzyl alcohol (CHEBI:17987)
Berkeleyamide B (CHEBI:189283) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[[5-(3-methylbutanoylcarbamoyl)-4-oxopyran-2-yl]-phenylmethyl] acetate
Manual XrefsDatabases
24693937ChemSpider