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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:belladine
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Accession:CHEBI:3005 term browser browse the term
Definition:A phenethylamine alkaloid that is N-methyl-4-methoxyphenylethylamine carrying an additional N-(3,4-dimethoxybenzyl) substituent.
Synonyms:exact_synonym: N-(3,4-dimethoxybenzyl)-2-(4-methoxyphenyl)-N-methylethanamine
 related_synonym: Formula=C19H25NO3;   InChI=1S/C19H25NO3/c1-20(12-11-15-5-8-17(21-2)9-6-15)14-16-7-10-18(22-3)19(13-16)23-4/h5-10,13H,11-12,14H2,1-4H3;   InChIKey=LTXRLUQBZWBCGH-UHFFFAOYSA-N;   SMILES=COc1ccc(CCN(C)Cc2ccc(OC)c(OC)c2)cc1
 xref: Beilstein:2817513;   CAS:501-06-4;   KEGG:C08518;   KNApSAcK:C00001562;   PMID:21615016;   PMID:22312717;   Reaxys:2817513


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            alkaloid 5350
              phenethylamine alkaloid 56
                belladine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic molecule 19494
                              organic cyclic compound 19264
                                carbocyclic compound 17644
                                  benzenoid aromatic compound 17198
                                    benzenes 16940
                                      methoxybenzenes 1835
                                        monomethoxybenzene 1741
                                          belladine 0
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