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CHEBI:212690 - Columbamide B

ChEBI IDCHEBI:212690
ChEBI NameColumbamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40Cl3NO4
Net Charge0
Average Mass500.935
Monoisotopic Mass499.20229
SMILESCOC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCCC(Cl)CCCCCC(Cl)Cl
InChIInChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1
InChIKeyJBEYLLUXESVNSE-QOZDHKFNSA-N
Species of MetaboliteComponentSourceComments
Moorena bouillonii (ncbitaxon:207920) - PubMed (26149623)
ChEBI Ontology
Outgoing Relation(s)
Columbamide B (CHEBI:212690) is a fatty amide (CHEBI:29348)
IUPAC Name 
[(2S)-3-methoxy-2-[methyl-[(E)-10,16,16-trichlorohexadec-4-enoyl]amino]propyl] acetate
Manual XrefsDatabases
35517165ChemSpider