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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;   HMDB:HMDB0041884;   PMID:10408701;   PMID:11448472;   PMID:12647011;   PMID:16168722;   PMID:1628370;   PMID:16614166;   PMID:16915573;   PMID:16958789;   PMID:17197005;   PMID:17379584;   PMID:18371724;   PMID:18967867;   PMID:19174209;   PMID:23192654;   PMID:23337906;   PMID:24631816;   PMID:25446851;   PMID:27447545;   PMID:2897122;   PMID:8298821;   PMID:8595168;   PMID:9261889;   PMID:9696578;   PMID:9888978;   Reaxys:6773847


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      biological role 19734
        antimicrobial agent 17277
          anthracycline antibiotic 7285
            doxorubicinol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic group 18473
                              organic divalent group 18467
                                organodiyl group 18467
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      ketone 15993
                                        cyclic ketone 13469
                                          quinone 8246
                                            acenoquinone 7434
                                              tetracenequinones 7311
                                                doxorubicinol 0
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