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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:chrysen-3-ol
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Accession:CHEBI:132405 term browser browse the term
Definition:A hydroxychrysene that is chrysene in which the hydrogen at position 3 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Synonyms:related_synonym: 3-chrysenol;   3-hydroxychrysene;   Formula=C18H12O;   InChI=1S/C18H12O/c19-14-8-5-13-7-9-16-15-4-2-1-3-12(15)6-10-17(16)18(13)11-14/h1-11,19H;   InChIKey=PULKTNQKGZNFNB-UHFFFAOYSA-N;   SMILES=C=1C=CC=C2C3=CC=C4C=CC(=CC4=C3C=CC21)O
 xref: CAS:63019-39-6;   PMID:2228141;   PMID:2322951;   PMID:24177434;   PMID:25461072;   PMID:25659315;   PMID:3524815;   PMID:3581051;   Reaxys:3295572


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          metabolite 19341
            xenobiotic metabolite 14259
              chrysen-3-ol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    main group molecular entity 19763
                      s-block molecular entity 19511
                        hydrogen molecular entity 19503
                          hydrides 18775
                            organic hydride 18330
                              organic fundamental parent 18330
                                hydrocarbon 18054
                                  cyclic hydrocarbon 17112
                                    arene 17108
                                      polycyclic arene 16927
                                        ortho-fused polycyclic arene 9666
                                          chrysene 867
                                            hydroxychrysene 3
                                              chrysen-3-ol 0
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