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CHEBI:224490 - Trimethyl 4-hydroxy-4,5-dicarboxy-14-pentadecenoate

Default Structure
ChEBI IDCHEBI:224490
ChEBI NameTrimethyl 4-hydroxy-4,5-dicarboxy-14-pentadecenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O7
Net Charge0
Average Mass386.485
Monoisotopic Mass386.23045
SMILESC=CCCCCCCCC[C@H](C(=O)OC)C(O)(CCC(=O)OC)C(=O)OC
InChIInChI=1S/C20H34O7/c1-5-6-7-8-9-10-11-12-13-16(18(22)26-3)20(24,19(23)27-4)15-14-17(21)25-2/h5,16,24H,1,6-15H2,2-4H3/t16-,20?/m1/s1
InChIKeyPYMFODJLNHATSF-QRIPLOBPSA-N
Species of MetaboliteComponentSourceComments
Penicillium solitum (ncbitaxon:60172) - PubMed (22276851)
ChEBI Ontology
Outgoing Relation(s)
Trimethyl 4-hydroxy-4,5-dicarboxy-14-pentadecenoate (CHEBI:224490) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
trimethyl (4S)-3-hydroxytetradec-13-ene-1,3,4-tricarboxylate
Manual XrefsDatabases
78437750ChemSpider