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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:(6S,7R,8aR)-N-[6-(dimethylamino)hexyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
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Accession:CHEBI:125248 term browser browse the term
Definition:A pyrrolidine that has formula C24H36N4O5.
Synonyms:related_synonym: Formula=C24H36N4O5;   InChI=1S/C24H36N4O5/c1-27(2)11-6-4-3-5-10-25-23(31)19-15-20-24(32)26-16-21(30)28(20)22(19)17-8-7-9-18(14-17)33-13-12-29/h7-9,14,19-20,22,29H,3-6,10-13,15-16H2,1-2H3,(H,25,31)(H,26,32)/t19-,20-,22-/m1/s1;   InChIKey=YUXQQBVTNNWDQF-KCZVDYSFSA-N;   SMILES=CN(C)CCCCCCNC(=O)[C@@H]1C[C@@H]2C(=O)NCC(=O)N2[C@@H]1C3=CC(=CC=C3)OCCO
 xref: LINCS:LSM-36718

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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          nitrogen atom 2
            nitrogen molecular entity 2
              organonitrogen compound 2
                organonitrogen heterocyclic compound 2
                  pyrrolidines 1
                    (6S,7R,8aR)-N-[6-(dimethylamino)hexyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic heterocyclic compound 2
                                  organic heteromonocyclic compound 2
                                    pyrrolidines 1
                                      (6S,7R,8aR)-N-[6-(dimethylamino)hexyl]-6-[3-(2-hydroxyethoxy)phenyl]-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide 0
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