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CHEBI:224233 - Chlorosphaerolactylate A

ChEBI IDCHEBI:224233
ChEBI NameChlorosphaerolactylate A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26Cl2O4
Net Charge0
Average Mass341.275
Monoisotopic Mass340.12081
SMILESC[C@H](OC(=O)CCCCC(Cl)CCCCCCCl)C(=O)O
InChIInChI=1S/C15H26Cl2O4/c1-12(15(19)20)21-14(18)10-6-5-9-13(17)8-4-2-3-7-11-16/h12-13H,2-11H2,1H3,(H,19,20)/t12-,13?/m0/s1
InChIKeyVVAHVWPREJBZKW-UEWDXFNNSA-N
Species of MetaboliteComponentSourceComments
Sphaerospermopsisspecies LEGE 00249 (ncbitaxon:1380707) - PubMed (32479093)
ChEBI Ontology
Outgoing Relation(s)
Chlorosphaerolactylate A (CHEBI:224233) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
(2S)-2-(6,12-dichlorododecanoyloxy)propanoic acid
Manual XrefsDatabases
113371104ChemSpider