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CHEBI:144148 - 3-Chlorodivaricatic acid

Default Structure
ChEBI IDCHEBI:144148
ChEBI Name3-Chlorodivaricatic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H23ClO7
Net Charge0
Average Mass422.861
Monoisotopic Mass422.11323
SMILESCCCc1cc(OC(=O)c2c(CCC)cc(OC)c(Cl)c2O)cc(O)c1C(=O)O
InChIInChI=1S/C21H23ClO7/c1-4-6-11-8-13(10-14(23)16(11)20(25)26)29-21(27)17-12(7-5-2)9-15(28-3)18(22)19(17)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKeyWVJIULQLWBXJKO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Chlorodivaricatic acid (CHEBI:144148) is a carbonyl compound (CHEBI:36586)