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CHEBI:210005 - Methyl 8-hydroxyhexylitaconate

Default Structure
ChEBI IDCHEBI:210005
ChEBI NameMethyl 8-hydroxyhexylitaconate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESC=C(C(=O)O)[C@@H](CCCC(O)CC)C(=O)OC
InChIInChI=1S/C12H20O5/c1-4-9(13)6-5-7-10(12(16)17-3)8(2)11(14)15/h9-10,13H,2,4-7H2,1,3H3,(H,14,15)/t9?,10-/m1/s1
InChIKeyMZXYGECZDCNVBG-QVDQXJPCSA-N
Species of MetaboliteComponentSourceComments
Penicillium antarcticum (ncbitaxon:416450) - PubMed (32260516)
ChEBI Ontology
Outgoing Relation(s)
Methyl 8-hydroxyhexylitaconate (CHEBI:210005) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R)-7-hydroxy-3-methoxycarbonyl-2-methylidenenonanoic acid
Manual XrefsDatabases
82223964ChemSpider