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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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  CHEBI ontology 2
    role 2
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        pesticide 1
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              wilforine 0
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    subatomic particle 2
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                                        eudesmane sesquiterpenoid 0
                                          dihydroagarofuran 0
                                            dihydroagarofuran sesquiterpenoid 0
                                              wilforine 0
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