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CHEBI:187313 - Malyngamide T

ChEBI IDCHEBI:187313
ChEBI NameMalyngamide T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38ClNO5
Net Charge0
Average Mass468.034
Monoisotopic Mass467.24385
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)Cc1cc(OC)cc(=O)o1)OC
InChIInChI=1S/C25H38ClNO5/c1-4-5-6-7-9-12-21(30-2)13-10-8-11-14-24(28)27-19-20(18-26)15-23-16-22(31-3)17-25(29)32-23/h8,10,16-18,21H,4-7,9,11-15,19H2,1-3H3,(H,27,28)/b10-8+,20-18+/t21-/m0/s1
InChIKeyABBPFXQJIWUCKF-CXRCMLCDSA-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 T (CHEBI:187313) is a pyranone (CHEBI:37963)
IUPAC Name 
(E,7S)-N-[(E)-3-chloro-2-[(4-methoxy-6-oxopyran-2-yl)methyl]prop-2-enyl]-7-methoxytetradec-4-enamide
Manual XrefsDatabases
558793ChemSpider