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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:withalongolide B
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Accession:CHEBI:69107 term browser browse the term
Definition:A withanolide that is 27-deoxywithaferin A substituted by a hydroxy group at position 19. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,22R)-4,19-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
 related_synonym: Formula=C28H38O6;   InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1;   InChIKey=OZBFGYQTKGOIKC-NSYRIIBJSA-N;   SMILES=C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
 xref: PMID:22098611;   Reaxys:22217707


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Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      application 19505
        pharmaceutical 19375
          drug 19375
            antineoplastic agent 17034
              withalongolide B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic ester 14384
                                        lactone 5997
                                          steroid lactone 405
                                            withanolide 45
                                              withaferin A 45
                                                withalongolide B 0
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