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CHEBI:223999 - 9-hydroxyhexylitaconic acid-4-methyl ester

Default Structure
ChEBI IDCHEBI:223999
ChEBI Name9-hydroxyhexylitaconic acid-4-methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESC=C(C(=O)OC)C(CCCCC(C)O)C(=O)O
InChIInChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(11(14)15)9(2)12(16)17-3/h8,10,13H,2,4-7H2,1,3H3,(H,14,15)
InChIKeyKWTWENYOMIBXNE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21397285)
ChEBI Ontology
Outgoing Relation(s)
9-hydroxyhexylitaconic acid-4-methyl ester (CHEBI:223999) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
7-hydroxy-2-(3-methoxy-3-oxoprop-1-en-2-yl)octanoic acid
Manual XrefsDatabases
27025498ChemSpider