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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            alkaloid 7817
              pyridine alkaloid 1332
                wilforgine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  terpene 14014
                                    terpenoid 13711
                                      sesquiterpenoid 3270
                                        eudesmane sesquiterpenoid 9
                                          dihydroagarofuran 0
                                            dihydroagarofuran sesquiterpenoid 0
                                              wilforgine 0
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