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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:[(3aS,4R,9bS)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
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Accession:CHEBI:125947 term browser browse the term
Definition:A pyrroloquinoline that has formula C27H27N3O4S.
Synonyms:related_synonym: Formula=C27H27N3O4S;   InChI=1S/C27H27N3O4S/c1-29-25-11-10-19(8-9-20-5-4-13-28-17-20)15-24(25)27-23(26(29)18-31)12-14-30(27)35(32,33)22-7-3-6-21(16-22)34-2/h3-7,10-11,13,15-17,23,26-27,31H,12,14,18H2,1-2H3/t23-,26-,27-/m0/s1;   InChIKey=XFZXYNJZDQRLIG-YGPDHOBYSA-N;   SMILES=CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C#CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC(=C5)OC)CO
 xref: LINCS:LSM-37514

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                organonitrogen heterocyclic compound 0
                  pyrroloquinoline 0
                    [(3aS,4R,9bS)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol 0
Path 2
Term Annotations click to browse term
  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
                                      pyrroloquinoline 0
                                        [(3aS,4R,9bS)-1-(3-methoxyphenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol 0
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