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CHEBI:198284 - Oreganic acid

Default Structure
ChEBI IDCHEBI:198284
ChEBI NameOreganic acid
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SubmitterMetaboLights
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FormulaC22H38O10S
Net Charge0
Average Mass494.603
Monoisotopic Mass494.21857
SMILESO=C(O)C/C(C(=O)O)=C(/CCCCCCCCCCCCCCCCOS(=O)(=O)O)C(=O)O
InChIInChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+
InChIKeySDWSBMKMILEYGK-VHEBQXMUSA-N
ChEBI Ontology
Outgoing Relation(s)
Oreganic acid (CHEBI:198284) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E)-19-sulooxynonadec-2-ene-1,2,3-tricarboxylic acid
Manual XrefsDatabases
8067590ChemSpider