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CHEBI:187855 - Malyngamide K

ChEBI IDCHEBI:187855
ChEBI NameMalyngamide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38ClNO3
Net Charge0
Average Mass424.025
Monoisotopic Mass423.25402
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=CCCCC1=O)OC
InChIInChI=1S/C24H38ClNO3/c1-3-4-5-6-8-13-21(29-2)14-9-7-10-17-24(28)26-19-20(18-25)22-15-11-12-16-23(22)27/h7,9,15,18,21H,3-6,8,10-14,16-17,19H2,1-2H3,(H,26,28)/b9-7+,20-18-/t21-/m0/s1
InChIKeyMFDHYPQDDSVRFS-KLNBHVKMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Malyngamide K (CHEBI:187855) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(E,7S)-N-[(E)-3-chloro-2-(6-oxocyclohexen-1-yl)prop-2-enyl]-7-methoxytetradec-4-enamide
Manual XrefsDatabases
10470389ChemSpider