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CHEBI:199418 - Malyngamide E

ChEBI IDCHEBI:199418
ChEBI NameMalyngamide E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H55NO6
Net Charge0
Average Mass537.782
Monoisotopic Mass537.40294
SMILESCCCCCCCC(C)CC(C/C=C/CCC(=O)NC(COC)C(O)C1=CC(C)C(O)C(C)(C)C1=O)OC
InChIInChI=1S/C31H55NO6/c1-8-9-10-11-13-16-22(2)19-24(38-7)17-14-12-15-18-27(33)32-26(21-37-6)28(34)25-20-23(3)29(35)31(4,5)30(25)36/h12,14,20,22-24,26,28-29,34-35H,8-11,13,15-19,21H2,1-7H3,(H,32,33)/b14-12+
InChIKeyNSVICYIIAALIHO-WYMLVPIESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - DOI (10.1021/jo00416a022)
ChEBI Ontology
Outgoing Relation(s)
Malyngamide E (CHEBI:199418) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(E)-N-[1-hydroxy-1-(4-hydroxy-3,5,5-trimethyl-6-oxocyclohexen-1-yl)-3-methoxypropan-2-yl]-7-methoxy-9-methylhexadec-4-enamide
Manual XrefsDatabases
10469766ChemSpider