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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:bufalin
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Accession:CHEBI:517248 term browser browse the term
Definition:A 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo.
Synonyms:exact_synonym: (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide
 related_synonym: 3,14-Dihydroxy-bufa-20,22-dienolide;   3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide;   3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide;   Formula=C24H34O4;   InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1;   InChIKey=QEEBRPGZBVVINN-BMPKRDENSA-N;   SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2
 xref: Beilstein:96550;   CAS:465-21-4;   KEGG:C16922;   LIPID_MAPS_instance:LMST01130001
 xref_mesh: MESH:C022777
 xref: PMID:10438974;   PMID:21185919;   PMID:23949904;   PMID:24484199;   PMID:24515724;   PMID:24719521;   PMID:26111756;   PMID:26133118;   PMID:26381511;   PMID:26446205;   PMID:8282340;   Reaxys:96550


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  CHEBI ontology 5052
    role 5044
      application 863
        anti-inflammatory agent 71
          bufalin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  ester 533
                                    carboxylic ester 496
                                      lactone 373
                                        steroid lactone 2
                                          bufanolide 0
                                            bufalin 0
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