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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:2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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Accession:CHEBI:110290 term browser browse the term
Definition:A furopyran that has formula C20H20N2O6.
Synonyms:related_synonym: Formula=C20H20N2O6;   InChI=1S/C20H20N2O6/c23-10-17-19-15(7-13(27-17)8-18(24)25)14-6-12(3-4-16(14)28-19)22-20(26)11-2-1-5-21-9-11/h1-6,9,13,15,17,19,23H,7-8,10H2,(H,22,26)(H,24,25)/t13-,15-,17-,19+/m1/s1;   InChIKey=PXUNXEMZTUASEH-VWMOJTHMSA-N;   SMILES=C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)O
 xref: LINCS:LSM-21739


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  CHEBI ontology 499
    chemical entity 499
      atom 499
        nonmetal atom 492
          oxygen atom 448
            oxygen molecular entity 448
              organooxygen compound 428
                oxacycle 69
                  furopyran 0
                    2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid 0
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  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            organic molecule 471
                              organic cyclic compound 454
                                organic heterocyclic compound 417
                                  organic heteropolycyclic compound 95
                                    organic heterobicyclic compound 44
                                      furopyran 0
                                        2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid 0
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