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CHEBI:210012 - Ethyl 9-hydroxyhexylitaconate

Default Structure
ChEBI IDCHEBI:210012
ChEBI NameEthyl 9-hydroxyhexylitaconate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O5
Net Charge0
Average Mass258.314
Monoisotopic Mass258.14672
SMILESC=C(C(=O)O)[C@@H](CCCC[C@@H](C)O)C(=O)OCC
InChIInChI=1S/C13H22O5/c1-4-18-13(17)11(10(3)12(15)16)8-6-5-7-9(2)14/h9,11,14H,3-8H2,1-2H3,(H,15,16)/t9-,11-/m1/s1
InChIKeyIJVOCMYTMJURGN-MWLCHTKSSA-N
Species of MetaboliteComponentSourceComments
Penicillium antarcticum (ncbitaxon:416450) - PubMed (32260516)
ChEBI Ontology
Outgoing Relation(s)
Ethyl 9-hydroxyhexylitaconate (CHEBI:210012) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R,8R)-3-ethoxycarbonyl-8-hydroxy-2-methylidenenonanoic acid
Manual XrefsDatabases
82223965ChemSpider