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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:paerucumarin
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Accession:CHEBI:140649 term browser browse the term
Definition:A hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7.
Synonyms:exact_synonym: 6,7-dihydroxy-3-isocyano-2H-chromen-2-one
 related_synonym: 6,7-dihydroxy-3-isocyano-2H-1-benzopyran-2-one;   6,7-dihydroxy-3-isocyanochromen-2-one;   Formula=C10H5NO4;   InChI=1S/C10H5NO4/c1-11-6-2-5-3-7(12)8(13)4-9(5)15-10(6)14/h2-4,12-13H;   InChIKey=PBXVYKHISUQHKY-UHFFFAOYSA-N;   SMILES=O1C(=O)C([N+]#[C-])=CC2=C1C=C(C(=C2)O)O
 xref: CAS:957062-50-9;   MetaCyc:CPD-20762;   PMID:18689486;   PMID:23646138;   PMID:27480638;   PMID:30528249

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  CHEBI ontology 0
    role 0
      chemical role 0
        ligand 0
          chelator 0
            iron chelator 0
              paerucumarin 0
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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
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                paerucumarin 0
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