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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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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            tanghinigenin 0
              deacetyltanghinin 0
              tanghinin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        gamma-lactone 0
                                          butenolide 0
                                            cardenolides 0
                                              tanghinigenin 0
                                                deacetyltanghinin 0
                                                tanghinin 0
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