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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:wilforine
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Accession:CHEBI:132150 term browser browse the term
Definition:An organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii.
Synonyms:exact_synonym: (1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23,25-tetraacetoxy-21-(acetoxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0(1,21).0(3,24).0(7,12)]hexacosa-7,9,11-trien-19-yl benzoate
 related_synonym: 26-Deoxywilfordine;   Formula=C43H49NO18;   InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1;   InChIKey=ZOCKGJZEUVPPPI-QSNSFFMXSA-N;   SMILES=[C@@]12([C@@H]([C@@H]([C@@]3([C@H]([C@]14[C@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)C=5C=CC=CC5)OC([C@H](CCC6=NC=CC=C6C(OC[C@@]3(O4)C)=O)C)=O)(O)C)OC(C)=O)[H])OC(C)=O)OC(=O)C)COC(C)=O
 xref: CAS:11088-09-8;   CBA:350230;   CBA:353089;   CBA:642181
 xref_mesh: MESH:C535115
 xref: PMID:11738408;   PMID:18976997;   PMID:21982911;   PMID:24651642;   PMID:25425175;   PMID:25958670;   PMID:4712613;   Pubchem:601100


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        pesticide 18062
          insecticide 16828
            phytogenic insecticide 5096
              wilforine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            organic hydride 18687
                              organic fundamental parent 18687
                                hydrocarbon 18438
                                  terpene 14063
                                    terpenoid 13762
                                      sesquiterpenoid 3287
                                        eudesmane sesquiterpenoid 9
                                          dihydroagarofuran 0
                                            dihydroagarofuran sesquiterpenoid 0
                                              wilforine 0
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