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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'-(cyclohexylmethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
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Accession:CHEBI:130311 term browser browse the term
Definition:A harmala alkaloid that has formula C26H39N3O4S.
Synonyms:related_synonym: Formula=C26H39N3O4S;   InChI=1S/C26H39N3O4S/c1-27-22-15-20(33-2)9-10-21(22)24-25(27)23(17-30)29(34(3,31)32)18-26(24)11-13-28(14-12-26)16-19-7-5-4-6-8-19/h9-10,15,19,23,30H,4-8,11-14,16-18H2,1-3H3/t23-/m1/s1;   InChIKey=BZTKMVQRNBZKQT-HSZRJFAPSA-N;   SMILES=CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5CCCCC5)S(=O)(=O)C)CO
 xref: LINCS:LSM-41860


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            alkaloid 7816
              harmala alkaloid 72
                [(1S)-1'-(cyclohexylmethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic heterocyclic compound 18852
                                  organic heteropolycyclic compound 18295
                                    organic heterotricyclic compound 15649
                                      pyridoindole 136
                                        beta-carbolines 117
                                          harmala alkaloid 72
                                            [(1S)-1'-(cyclohexylmethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol 0
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