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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:4'-demethyldeoxypodophyllotoxin
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Accession:CHEBI:1729 term browser browse the term
Definition:A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 4-hydroxy-3,5-dimethoxyphenyl group.
Synonyms:exact_synonym: (5R,5aR,8aR)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
 related_synonym: (-)-4'-desmethyl-deoxypodophyllotoxin;   4'-desmethyldesoxypodophyllotoxin;   A 80198;   Formula=C21H20O7;   InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1;   InChIKey=RFDMNXDDRXVJTM-RQUSPXKASA-N;   SMILES=[C@H]1(C2=C(C[C@@]3([C@@]1(C(OC3)=O)[H])[H])C=C4OCOC4=C2)C5=CC(=C(C(=C5)OC)O)OC
 xref: CAS:3590-93-0;   CBA:296709;   CBA:344537;   KEGG:C10552;   KNApSAcK:C00002594;   MetaCyc:CPD-18756;   PMID:10680579;   PMID:11800394;   PMID:12873481;   PMID:17256902;   PMID:17340533;   PMID:21676247;   PMID:853371;   PMID:8709118;   Patent:CN101647842;   Reaxys:1356937


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  CHEBI ontology 19838
    role 19814
      chemical role 19449
        antioxidant 16138
          4'-demethyldeoxypodophyllotoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  ester 17352
                                    carboxylic ester 16733
                                      lactone 13238
                                        gamma-lactone 6861
                                          4'-demethyldeoxypodophyllotoxin 0
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