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ONTOLOGY REPORT - ANNOTATIONS


Term:doxorubicinol
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Accession:CHEBI:133817 term browser browse the term
Definition:A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties.
Synonyms:exact_synonym: (1S,3S)-3-[(1S)-1,2-dihydroxyethyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
 related_synonym: 13-dihydrodoxorubicin;   Antibiotic 27706RP;   DOXOL;   Formula=C27H31NO11;   InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1;   InChIKey=NKZRZOVSJNSBFR-FEMMEMONSA-N;   SMILES=C=1(O)C2=C(C(C3=C(C=CC=C3OC)C2=O)=O)C(O)=C4C1C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)([C@H](CO)O)O;   adriamycinol
 xref: CAS:54193-28-1 "ChemIDplus";   HMDB:HMDB0041884;   PMID:10408701 "Europe PMC";   PMID:11448472 "Europe PMC";   PMID:12647011 "Europe PMC";   PMID:16168722 "Europe PMC";   PMID:1628370 "Europe PMC";   PMID:16614166 "Europe PMC";   PMID:16915573 "Europe PMC";   PMID:16958789 "Europe PMC";   PMID:17197005 "Europe PMC";   PMID:17379584 "Europe PMC";   PMID:18371724 "Europe PMC";   PMID:18967867 "Europe PMC";   PMID:19174209 "Europe PMC";   PMID:23192654 "Europe PMC";   PMID:23337906 "Europe PMC";   PMID:24631816 "Europe PMC";   PMID:25446851 "Europe PMC";   PMID:27447545 "Europe PMC";   PMID:2897122 "Europe PMC";   PMID:8298821 "Europe PMC";   PMID:8595168 "Europe PMC";   PMID:9261889 "Europe PMC";   PMID:9696578 "Europe PMC";   PMID:9888978 "Europe PMC";   Reaxys:6773847 "Reaxys"


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21258
    role 21241
      biological role 21239
        antimicrobial agent 18107
          anthracycline antibiotic 7394
            doxorubicinol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21258
    subatomic particle 21254
      composite particle 21254
        hadron 21254
          baryon 21254
            nucleon 21254
              atomic nucleus 21254
                atom 21254
                  main group element atom 21120
                    p-block element atom 21120
                      carbon group element atom 20892
                        carbon atom 20783
                          organic molecular entity 20783
                            organic group 19177
                              organic divalent group 19167
                                organodiyl group 19167
                                  carbonyl group 19137
                                    carbonyl compound 19137
                                      ketone 16251
                                        cyclic ketone 13516
                                          quinone 8376
                                            acenoquinone 7550
                                              tetracenequinones 7422
                                                doxorubicinol 0
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