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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)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone
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Accession:CHEBI:127742 term browser browse the term
Definition:A harmala alkaloid that has formula C23H27N5O5S.
Synonyms:related_synonym: Formula=C23H27N5O5S;   InChI=1S/C23H27N5O5S/c1-33-15-3-4-16-17(11-15)26-21-19(13-29)28(22(30)18-12-24-7-8-25-18)14-23(20(16)21)5-9-27(10-6-23)34(2,31)32/h3-4,7-8,11-12,19,26,29H,5-6,9-10,13-14H2,1-2H3/t19-/m1/s1;   InChIKey=CJZRHNNVPHEALW-LJQANCHMSA-N;   SMILES=COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)S(=O)(=O)C)C(=O)C5=NC=CN=C5)CO
 xref: LINCS:LSM-39299

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              harmala alkaloid 0
                [(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterotricyclic compound 0
                                      pyridoindole 0
                                        beta-carbolines 0
                                          harmala alkaloid 0
                                            [(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-(2-pyrazinyl)methanone 0
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