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CHEBI:192790 - cimicifugate K

ChEBI IDCHEBI:192790
ChEBI Namecimicifugate K
Stars
DefinitionConjugate base of cimicifugic acid K; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H16O9
Net Charge-2
Average Mass400.339
Monoisotopic Mass400.08053
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)[O-])[C@](O)(Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C20H18O9/c21-14-6-1-12(2-7-14)5-10-16(23)29-17(18(24)25)20(28,19(26)27)11-13-3-8-15(22)9-4-13/h1-10,17,21-22,28H,11H2,(H,24,25)(H,26,27)/p-2/b10-5+/t17-,20-/m1/s1
InChIKeyBNBCNSZOUCPLOA-HHSWOIGYSA-L
ChEBI Ontology
Outgoing Relation(s)
cimicifugate K (CHEBI:192790) is a benzenes (CHEBI:22712)
cimicifugate K (CHEBI:192790) is a carboxylic acid anion (CHEBI:29067)
Synonym  Source
CA PPSUBMITTER
UniProt Name  Source
cimicifugate KUniProt
Citations