CHEBI:189283 - Berkeleyamide B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Berkeleyamide B
ChEBI ID CHEBI:189283
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H21NO6
Net Charge 0
Average Mass 371.389
Monoisotopic Mass 371.13689
InChI InChI=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)
InChIKey VDFNZTMTSRBUGD-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C)C2=CC=CC=C2)=CC(=O)C(C(=O)NC(=O)CC(C)C)=C1
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
24693937 ChemSpider
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