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CHEBI:144168 - 5-chlorodivaricatic acid

Default Structure
ChEBI IDCHEBI:144168
ChEBI Name5-chlorodivaricatic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H23ClO7
Net Charge0
Average Mass422.861
Monoisotopic Mass422.11323
SMILESCCCc1cc(OC(=O)c2c(O)cc(OC)c(Cl)c2CCC)cc(O)c1C(=O)O
InChIInChI=1S/C21H23ClO7/c1-4-6-11-8-12(9-14(23)17(11)20(25)26)29-21(27)18-13(7-5-2)19(22)16(28-3)10-15(18)24/h8-10,23-24H,4-7H2,1-3H3,(H,25,26)
InChIKeyOPCWRYYYOJWUDI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-chlorodivaricatic acid (CHEBI:144168) is a carbonyl compound (CHEBI:36586)