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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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        pharmaceutical 0
          drug 0
            antineoplastic agent 0
              withalongolide B 0
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  CHEBI ontology 0
    subatomic particle 0
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          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
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic ester 0
                                        lactone 0
                                          steroid lactone 0
                                            withanolide 0
                                              withaferin A 0
                                                withalongolide B 0
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