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CHEBI:144147 - Divaricatic acid

Default Structure
ChEBI IDCHEBI:144147
ChEBI NameDivaricatic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCC)cc(O)c1C(=O)O
InChIInChI=1S/C21H24O7/c1-4-6-12-9-15(11-16(22)18(12)20(24)25)28-21(26)19-13(7-5-2)8-14(27-3)10-17(19)23/h8-11,22-23H,4-7H2,1-3H3,(H,24,25)
InChIKeyFSRDIJIAQPSMMR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Divaricatic acid (CHEBI:144147) is a carbonyl compound (CHEBI:36586)