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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 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              organooxygen compound 0
                oxacycle 0
                  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 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 heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      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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