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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:LSM-12777
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Accession:CHEBI:101414 term browser browse the term
Definition:An aromatic amine that has formula C31H38N2O4.
Synonyms:related_synonym: Formula=C31H38N2O4;   InChI=1S/C31H38N2O4/c1-22-17-33(23(2)20-34)31(35)28-15-9-8-14-27(28)26-13-7-5-12-25(26)21-37-30(22)19-32(3)18-24-11-6-10-16-29(24)36-4/h5-16,22-23,30,34H,17-21H2,1-4H3/t22-,23+,30-/m0/s1;   InChIKey=VZCRYBFAFAJOLC-BURCIIJTSA-N;   SMILES=C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4OC)[C@H](C)CO
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Term Annotations click to browse term
  CHEBI ontology 19832
    role 19808
      application 19651
        NMR chemical shift reference compound 17960
          ammonia 17819
            organic amino compound 17819
              aromatic amine 15427
                LSM-12777 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    main group molecular entity 19780
                      s-block molecular entity 19618
                        hydrogen molecular entity 19605
                          hydrides 19104
                            inorganic hydride 18115
                              pnictogen hydride 18104
                                nitrogen hydride 18011
                                  azane 17820
                                    ammonia 17819
                                      organic amino compound 17819
                                        aromatic amine 15427
                                          LSM-12777 0
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