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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:tanghinigenin
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Accession:CHEBI:74633 term browser browse the term
Definition:A member of the class of cardenolides that is 7,8-epoxycard-20(22)-enolide substituted by hydroxy groups at positions 3 and 14 (the 3beta,5beta,7beta stereoisomer).
Synonyms:exact_synonym: (3beta,5beta,7alpha)-3,14-dihydroxy-7,8-epoxycard-20(22)-enolide;   3beta,14-dihydroxy-5beta,7beta-7,8-epoxycard-20(22)-enolide
 related_synonym: Formula=C23H32O5;   InChI=1S/C23H32O5/c1-20-6-3-15(24)10-14(20)11-18-23(28-18)17(20)5-7-21(2)16(4-8-22(21,23)26)13-9-19(25)27-12-13/h9,14-18,24,26H,3-8,10-12H2,1-2H3/t14-,15-,16+,17+,18-,20-,21+,22+,23+/m0/s1;   InChIKey=XHBYSYUHABSUKR-IZFNFCPSSA-N;   SMILES=C1[C@H](O)C[C@@]2([C@@](C1)(C)[C@]3(CC[C@@]4(C)[C@@]([C@]35[C@H](C2)O5)(CC[C@@H]4C6=CC(=O)OC6)O)[H])[H]
 xref: CAS:6875-16-7;   PMID:21787626;   Reaxys:1331216


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        biochemical role 21449
          metabolite 21397
            tanghinigenin 0
              deacetyltanghinin 0
              tanghinin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  ester 18240
                                    carboxylic ester 17255
                                      lactone 13023
                                        gamma-lactone 7324
                                          butenolide 6822
                                            cardenolides 256
                                              tanghinigenin 0
                                                deacetyltanghinin 0
                                                tanghinin 0
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