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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:Chlorobiocic acid
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Accession:CHEBI:31395 term browser browse the term
Definition:A hydroxycoumarin that has formula C21H18ClNO6.
Synonyms:related_synonym: Formula=C21H18ClNO6;   InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27);   InChIKey=GQENLIMEQYDTDJ-UHFFFAOYSA-N;   SMILES=CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O
 xref: CAS:114515-20-7;   KEGG:C12471


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      molecular entity 19809
        polyatomic entity 19767
          molecule 19702
            cyclic compound 19489
              aromatic compound 19341
                organic aromatic compound 19341
                  phenylpropanoid 11272
                    coumarins 4140
                      hydroxycoumarin 352
                        Chlorobiocic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  oxacycle 17819
                                    benzopyran 11950
                                      1-benzopyran 11702
                                        chromenes 4418
                                          chromenone 4370
                                            coumarins 4140
                                              hydroxycoumarin 352
                                                Chlorobiocic acid 0
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