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CHEBI:224226 - Chlorosphaerolactylate D

ChEBI IDCHEBI:224226
ChEBI NameChlorosphaerolactylate D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25Cl3O4
Net Charge0
Average Mass375.720
Monoisotopic Mass374.08184
SMILESCC(OC(=O)CCCCC(Cl)CCCCCC(Cl)Cl)C(=O)O
InChIInChI=1S/C15H25Cl3O4/c1-11(15(20)21)22-14(19)10-6-5-8-12(16)7-3-2-4-9-13(17)18/h11-13H,2-10H2,1H3,(H,20,21)
InChIKeyISBIDCLRYLGPPC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sphaerospermopsisspecies LEGE 00249 (ncbitaxon:1380707) - PubMed (32479093)
ChEBI Ontology
Outgoing Relation(s)
Chlorosphaerolactylate D (CHEBI:224226) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-(6,12,12-trichlorododecanoyloxy)propanoic acid
Manual XrefsDatabases
113368726ChemSpider