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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:N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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Accession:CHEBI:117333 term browser browse the term
Definition:A furopyran that has formula C26H28F2N2O5.
Synonyms:related_synonym: Formula=C26H28F2N2O5;   InChI=1S/C26H28F2N2O5/c27-16-3-5-21(28)15(8-16)12-29-24(32)11-18-10-20-19-9-17(30-25(33)7-14-1-2-14)4-6-22(19)35-26(20)23(13-31)34-18/h3-6,8-9,14,18,20,23,26,31H,1-2,7,10-13H2,(H,29,32)(H,30,33)/t18-,20-,23+,26+/m1/s1;   InChIKey=UWAUWNPQHFTMFN-ZCXMQSQVSA-N;   SMILES=C1CC1CC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCC5=C(C=CC(=C5)F)F
 xref: LINCS:LSM-28782


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  CHEBI ontology 19904
    chemical entity 19902
      atom 19902
        nonmetal atom 19825
          oxygen atom 19565
            oxygen molecular entity 19565
              organooxygen compound 19219
                oxacycle 17926
                  furopyran 74
                    N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      carbon group element atom 19779
                        carbon atom 19776
                          organic molecular entity 19776
                            organic molecule 19730
                              organic cyclic compound 19522
                                organic heterocyclic compound 18896
                                  organic heteropolycyclic compound 18320
                                    organic heterobicyclic compound 17261
                                      furopyran 74
                                        N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide 0
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