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CHEBI:192791 - cimicifugate D

ChEBI IDCHEBI:192791
ChEBI Namecimicifugate D
Stars
DefinitionConjugate base of cimicifugic acid D; major microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC20H16O10
Net Charge-2
Average Mass416.338
Monoisotopic Mass416.07544
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)[O-])[C@](O)(Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C20H18O10/c21-13-5-1-12(2-6-13)10-20(29,19(27)28)17(18(25)26)30-16(24)8-4-11-3-7-14(22)15(23)9-11/h1-9,17,21-23,29H,10H2,(H,25,26)(H,27,28)/p-2/b8-4+/t17-,20-/m1/s1
InChIKeyMTGTYFYLZVUKQG-ZUVWSUMTSA-L
ChEBI Ontology
Outgoing Relation(s)
cimicifugate D (CHEBI:192791) has functional parent (2R,3S)-piscidate (CHEBI:192789)
cimicifugate D (CHEBI:192791) is a benzenes (CHEBI:22712)
cimicifugate D (CHEBI:192791) is a carboxylic acid anion (CHEBI:29067)
Synonym  Source
CA PKSUBMITTER
UniProt Name  Source
cimicifugate DUniProt
Citations