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ONTOLOGY REPORT - ANNOTATIONS


Term:4-methoxyestrone
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Accession:CHEBI:136972 term browser browse the term
Definition:A 17-oxo steroid that is estrone in which the hydrogen at position 4 has been replaced by a methoxy group.
Synonyms:exact_synonym: 3-hydroxy-4-methoxyestra-1,3,5(10)-trien-17-one
 related_synonym: 4-Hydroxyestrone-4-methyl ether;   4-MeOE1;   Formula=C19H24O3;   InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1;   InChIKey=PUEXVLNGOBYUEW-BFDPJXHCSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C(=C(O)C=C4)OC)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
 xref: CAS:58562-33-7 "ChemIDplus";   HMDB:HMDB0060088;   PMID:15472229 "SUBMITTER";   PMID:21488127 "Europe PMC";   PMID:21561814 "Europe PMC";   PMID:23319542 "Europe PMC";   PMID:26134484 "Europe PMC";   PMID:26908437 "Europe PMC";   PMID:27269377 "Europe PMC";   PMID:28219710 "Europe PMC";   PMID:6288541 "Europe PMC";   Reaxys:3153470 "Reaxys";   Wikipedia:4-Methoxyestrone


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Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        aetiopathogenetic role 18752
          genotoxin 16036
            4-methoxyestrone 0
              4-methoxyestrone 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      ketone 15780
                                        oxo steroid 9255
                                          17-oxo steroid 256
                                            estrone 124
                                              4-methoxyestrone 0
                                                4-methoxyestrone 3-O-(beta-D-glucuronide) 0
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