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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:vanillylamine
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Accession:CHEBI:46958 term browser browse the term
Definition:An aralkylamino compound that has formula C8H11NO2.
Synonyms:exact_synonym: 4-(aminomethyl)-2-methoxyphenol
 related_synonym: 4-hydroxy-3-methoxybenzylamine;   Formula=C8H11NO2;   InChI=1S/C8H11NO2/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,10H,5,9H2,1H3;   InChIKey=WRPWWVNUCXQDQV-UHFFFAOYSA-N;   SMILES=COc1cc(CN)ccc1O
 xref: AGR:IND44428189;   AGR:IND44785250;   AGR:IND81023023;   Beilstein:1618874;   CAS:1196-92-5;   KEGG:C16666;   PMID:22921003
 cyclic_relationship: is_conjugate_base_of CHEBI:149596


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      application 863
        NMR chemical shift reference compound 419
          ammonia 391
            organic amino compound 284
              aralkylamino compound 41
                vanillylamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                carbocyclic compound 245
                                  benzenoid aromatic compound 218
                                    benzenes 211
                                      methoxybenzenes 1
                                        monomethoxybenzene 0
                                          guaiacols 0
                                            vanillyl alcohol 0
                                              vanillylamine 0
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