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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:plumbagin
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Accession:CHEBI:8273 term browser browse the term
Definition:A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.
Synonyms:exact_synonym: 5-hydroxy-2-methylnaphthalene-1,4-dione
 related_synonym: 2-methyljuglone;   5-hydroxy-2-methyl-1,4-naphthalenedione;   5-hydroxy-2-methyl-1,4-naphthoquinone;   Formula=C11H8O3;   InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3;   InChIKey=VCMMXZQDRFWYSE-UHFFFAOYSA-N;   SMILES=CC1=CC(=O)C2=C(O)C=CC=C2C1=O;   plumbaein;   plumbagine;   plumbagone
 xref: Beilstein:1870475;   CAS:481-42-5;   Gmelin:959690;   KEGG:C10387;   KNApSAcK:C00002852;   LINCS:LSM-37061
 xref_mesh: MESH:C014758
 xref: MetaCyc:CPD-4461;   PDBeChem:90R;   PMID:14727919;   PMID:14762525;   PMID:16078700;   PMID:16624823;   PMID:18974148;   PMID:19748668;   PMID:20858709;   PMID:21064184;   PMID:21559086;   PMID:21658027;   PMID:21741707;   Patent:CN1473468;   Patent:IN183682;   Patent:IN191797;   Reaxys:1870475;   Wikipedia:Plumbagin


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            plumbagin 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        quinone 0
                                          naphthoquinone 0
                                            1,4-naphthoquinones 0
                                              hydroxy-1,4-naphthoquinone 0
                                                plumbagin 0
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