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CHEBI:144301 - Sekikaic acid

Default Structure
ChEBI IDCHEBI:144301
ChEBI NameSekikaic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILESCCCc1cc(OC)cc(O)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O
InChIInChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKeyCPHXGYQLOSNELY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Sekikaic acid (CHEBI:144301) is a carbonyl compound (CHEBI:36586)