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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5076
    role 5041
      chemical role 845
        ligand 44
          chelator 41
            iron chelator 2
              paerucumarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5076
    subatomic particle 5067
      composite particle 5067
        hadron 5067
          baryon 5067
            nucleon 5067
              atomic nucleus 5067
                atom 5067
                  main group element atom 5037
                    p-block element atom 5034
                      carbon group element atom 4951
                        carbon atom 4950
                          organic molecular entity 4950
                            organic molecule 4898
                              organic cyclic compound 4837
                                organic heterocyclic compound 4617
                                  oxacycle 4535
                                    benzopyran 141
                                      1-benzopyran 78
                                        chromenes 25
                                          chromenone 25
                                            coumarins 16
                                              hydroxycoumarin 16
                                                paerucumarin 0
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