CHEBI:168430 - Pandamarilactam 3x

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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 Pandamarilactam 3x
ChEBI ID CHEBI:168430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H17NO3
Net Charge 0
Average Mass 235.283
Monoisotopic Mass 235.12084
InChI InChI=1S/C13H17NO3/c1-10-9-11(17-13(10)16)5-2-3-7-14-8-4-6-12(14)15/h5,9H,2-4,6-8H2,1H3/b11-5+
InChIKey AEEIFNXEUWFZED-VZUCSPMQSA-N
SMILES O=C1N(CCC1)CCC/C=C\2/OC(=O)C(=C2)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Pandamarilactam 3x (CHEBI:168430) is a butenolide (CHEBI:50523)
IUPAC Name
1-[(4E)-4-(4-methyl-5-oxouran-2-ylidene)butyl]pyrrolidin-2-one
Manual Xrefs Databases
28569594 ChemSpider
HMDB0033610 HMDB
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