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CHEBI:144188 - allo-Pertusaric acid

ChEBI IDCHEBI:144188
ChEBI Nameallo-Pertusaric acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCCC(C)=O)[C@H]1C(=O)O
InChIInChI=1S/C21H34O5/c1-16(22)14-12-10-8-6-4-3-5-7-9-11-13-15-18-19(20(23)24)17(2)21(25)26-18/h18-19H,2-15H2,1H3,(H,23,24)/t18-,19-/m0/s1
InChIKeySKQHRBRVCRUFSX-OALUTQOASA-N
ChEBI Ontology
Outgoing Relation(s)
allo-Pertusaric acid (CHEBI:144188) is a γ-lactone (CHEBI:37581)