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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:[(1S)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol
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Accession:CHEBI:127230 term browser browse the term
Definition:A harmala alkaloid that has formula C23H26ClN3O4S.
Synonyms:related_synonym: Formula=C23H26ClN3O4S;   InChI=1S/C23H26ClN3O4S/c1-31-17-7-8-18-19(9-17)25-22-20(11-28)26(10-15-3-5-16(24)6-4-15)12-23(21(18)22)13-27(14-23)32(2,29)30/h3-9,20,25,28H,10-14H2,1-2H3/t20-/m1/s1;   InChIKey=BKEQBVYQSWYCAQ-HXUWFJFHSA-N;   SMILES=COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)S(=O)(=O)C)CC5=CC=C(C=C5)Cl)CO
 xref: LINCS:LSM-38790


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Term Annotations click to browse term
  CHEBI ontology 22182
    role 22167
      biological role 22166
        biochemical role 21439
          metabolite 21387
            alkaloid 7893
              harmala alkaloid 73
                [(1S)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22182
    subatomic particle 22174
      composite particle 22174
        hadron 22174
          baryon 22174
            nucleon 22174
              atomic nucleus 22174
                atom 22174
                  main group element atom 22108
                    p-block element atom 22108
                      carbon group element atom 21909
                        carbon atom 21835
                          organic molecular entity 21835
                            organic molecule 21652
                              organic cyclic compound 21261
                                organic heterocyclic compound 20329
                                  organic heteropolycyclic compound 19619
                                    organic heterotricyclic compound 16274
                                      pyridoindole 137
                                        beta-carbolines 117
                                          harmala alkaloid 73
                                            [(1S)-2-[(4-chlorophenyl)methyl]-7-methoxy-1'-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol 0
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