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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 C
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Accession:CHEBI:69108 term browser browse the term
Definition:A withanolide that is withaferin A substituted by a hydroxy group at position 11. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
Synonyms:exact_synonym: (4beta,5beta,6beta,11beta,22R)-4,11,27-trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
 related_synonym: 11beta-hydroxywithaferin A;   Formula=C28H38O7;   InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1;   InChIKey=UPRPPTFVJBNIPP-VAPFTTHESA-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(C)[C@H]3[C@@H](O)C[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
 xref: PMID:22098611;   Reaxys:22217709


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Term Annotations click to browse term
  CHEBI ontology 19775
    role 19722
      biological role 19722
        biochemical role 19323
          metabolite 19302
            withalongolide C 0
Path 2
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  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19584
                        carbon atom 19574
                          organic molecular entity 19574
                            organic group 18622
                              organic divalent group 18613
                                organodiyl group 18613
                                  carbonyl group 18530
                                    carbonyl compound 18530
                                      carboxylic ester 15549
                                        lactone 9751
                                          steroid lactone 415
                                            withanolide 52
                                              withaferin A 52
                                                withalongolide C 0
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