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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:diflomotecan
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Accession:CHEBI:144046 term browser browse the term
Definition:An organic heteropentacyclic compound that is (5R)-8-[(6,7-difluoroquinolin-3-yl)methyl]-5-ethyl-5-hydroxy-1,4,5,8-tetrahydrooxepino[3,4-c]pyridine-3,9-dione in which position 7 of the oxepinopyridine moiety is joined to position 3 of the difluoroquinoine ring by a single bond. An E-ring modified camptothecin analogue that has greater lactone stability in plasma compared with other topoisomerase I inhibitors.
Synonyms:related_synonym: (5R)-5-ethyl-9,10-difluoro-1,4,5,13-tetrahydro-5-hydroxy-3H,15H-oxepino(3',4':6,7)indolizino(1,2-b)quinoline-3,15-dione;   BN 80915;   BN80915;   Formula=C21H16F2N2O4;   InChI=1S/C21H16F2N2O4/c1-2-21(28)7-18(26)29-9-12-13(21)5-17-19-11(8-25(17)20(12)27)3-10-4-14(22)15(23)6-16(10)24-19/h3-6,28H,2,7-9H2,1H3/t21-/m1/s1;   InChIKey=LFQCJSBXBZRMTN-OAQYLSRUSA-N;   SMILES=C12=CC(=C(C=C1N=C3C(=C2)CN4C(C5=C(C=C43)[C@](CC(OC5)=O)(CC)O)=O)F)F;   diflomotecanum
 xref: CAS:220997-97-7;   PMID:12482574;   PMID:14519632;   PMID:15011101;   PMID:15229462;   PMID:16261364;   PMID:16995662;   PMID:17322542;   PMID:18654747;   PMID:19053883;   PMID:25948593



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Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      application 19713
        pharmaceutical 19549
          drug 19549
            antineoplastic agent 17838
              diflomotecan 0
Path 2
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  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  ester 17565
                                    carboxylic ester 16938
                                      lactone 13317
                                        epsilon-lactone 0
                                          (R)-homocamptothecin 0
                                            diflomotecan 0
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