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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-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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Accession:CHEBI:103816 term browser browse the term
Definition:A furopyran that has formula C29H27FN2O7.
Synonyms:related_synonym: Formula=C29H27FN2O7;   InChI=1S/C29H27FN2O7/c30-18-3-1-2-16(8-18)13-31-27(34)12-20-11-22-21-10-19(5-7-23(21)39-28(22)26(14-33)38-20)32-29(35)17-4-6-24-25(9-17)37-15-36-24/h1-10,20,22,26,28,33H,11-15H2,(H,31,34)(H,32,35)/t20-,22-,26-,28+/m1/s1;   InChIKey=HIMABYNGDRMZAM-DFQMGKBUSA-N;   SMILES=C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CC(=CC=C6)F
 xref: LINCS:LSM-15160

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                oxacycle 0
                  furopyran 0
                    N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide 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 heterobicyclic compound 0
                                      furopyran 0
                                        N-[(1R,3R,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide 0
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