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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-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Definition:A 17-oxo steroid that is estrone in which the hydrogen at position 4 has been replaced by a methoxy group.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;   HMDB:HMDB0060088;   PMID:15472229;   PMID:21488127;   PMID:21561814;   PMID:23319542;   PMID:26134484;   PMID:26908437;   PMID:27269377;   PMID:28219710;   PMID:6288541;   Reaxys:3153470;   Wikipedia:4-Methoxyestrone



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        aetiopathogenetic role 19027
          genotoxin 17464
            4-methoxyestrone 0
              4-methoxyestrone 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      ketone 16957
                                        oxo steroid 10282
                                          17-oxo steroid 262
                                            estrone 128
                                              4-methoxyestrone 0
                                                4-methoxyestrone 3-O-(beta-D-glucuronide) 0
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