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CHEBI:144164 - 4-O-Demethylplanaic acid

Default Structure
ChEBI IDCHEBI:144164
ChEBI Name4-O-Demethylplanaic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESCCCCCc1cc(OC(=O)c2c(CCCCC)cc(O)cc2OC)cc(OC)c1C(=O)O
InChIInChI=1S/C26H34O7/c1-5-7-9-11-17-13-19(27)15-21(31-3)24(17)26(30)33-20-14-18(12-10-8-6-2)23(25(28)29)22(16-20)32-4/h13-16,27H,5-12H2,1-4H3,(H,28,29)
InChIKeyZACYDWHCNGMWPB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-O-Demethylplanaic acid (CHEBI:144164) is a carbonyl compound (CHEBI:36586)