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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:wilforgine
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Accession:CHEBI:132334 term browser browse the term
Definition:A dihydroagarofuran sesquiterpenoid and pyridine alkaloid with formula C41H47NO19 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-tetrakis(acetyloxy)-21-[(acetyloxy)methyl]-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 furan-3-carboxylate
 related_synonym: (8alpha)-8-(Acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)evonimine;   Formula=C41H47NO19;   InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31+,32-,33+,34-,38-,39-,40+,41-/m0/s1;   InChIKey=QFIYSPKZWOALMZ-GTVWHPQGSA-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)C5=COC=C5)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;   Wilforgin
 xref: Beilstein:78231;   CAS:37239-47-7;   CBA:642181;   KNApSAcK:C00013192
 xref_mesh: MESH:C479287
 xref: PMID:12579958;   PMID:17623366;   PMID:18976997;   PMID:21982911;   PMID:23252270;   PMID:23943048;   PMID:25244757;   PMID:25523369;   PMID:25582490;   PMID:25855315;   PMID:27649810;   Patent:FR2728466;   Patent:WO9113627;   Pubchem:124030;   Reaxys:8182777


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        biochemical role 19549
          metabolite 19537
            alkaloid 8016
              pyridine alkaloid 1347
                wilforgine 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
                                              wilforgine 0
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