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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:cimicifugate K
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Accession:CHEBI:192790 term browser browse the term
Definition:Conjugate base of cimicifugic acid K; major microspecies at pH 7.3.
Synonyms:related_synonym: CA PP;   Formula=C20H16O9;   InChI=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;   InChIKey=BNBCNSZOUCPLOA-HHSWOIGYSA-L;   SMILES=C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=CC(=CC2)O)=O)C([O-])=O)O
 xref: PMID:19140115;   PMID:31069522


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5090
    chemical entity 5090
      molecular entity 5089
        ion 172
          organic ion 109
            organic anion 20
              carboxylic acid anion 18
                cimicifugate K 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5090
    subatomic particle 5081
      composite particle 5081
        hadron 5081
          baryon 5081
            nucleon 5081
              atomic nucleus 5081
                atom 5081
                  main group element atom 5051
                    p-block element atom 5048
                      carbon group element atom 4966
                        carbon atom 4965
                          organic molecular entity 4965
                            organic molecule 4912
                              organic cyclic compound 4850
                                carbocyclic compound 250
                                  benzenoid aromatic compound 223
                                    benzenes 215
                                      cimicifugate K 0
paths to the root