CHEBI:189202 - Pestalotiopamide A

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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 Pestalotiopamide A
ChEBI ID CHEBI:189202
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H13NO3
Net Charge 0
Average Mass 171.196
Monoisotopic Mass 171.08954
InChI InChI=1S/C8H13NO3/c1-6(5-8(9)11)3-4-12-7(2)10/h5H,3-4H2,1-2H3,(H2,9,11)/b6-5+
InChIKey UBRLOVCOJLAYPQ-AATRIKPKSA-N
SMILES O(CC/C(/C)=C/C(=O)N)C(=O)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Pestalotiopamide A (CHEBI:189202) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(E)-5-amino-3-methyl-5-oxopent-3-enyl] acetate
Manual Xref Database
27026293 ChemSpider
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