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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)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
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Accession:CHEBI:99021 term browser browse the term
Definition:A furopyran that has formula C27H32N2O5.
Synonyms:related_synonym: Formula=C27H32N2O5;   InChI=1S/C27H32N2O5/c30-16-24-26-22(14-20(33-24)15-25(31)28-12-11-17-5-2-1-3-6-17)21-13-19(9-10-23(21)34-26)29-27(32)18-7-4-8-18/h1-3,5-6,9-10,13,18,20,22,24,26,30H,4,7-8,11-12,14-16H2,(H,28,31)(H,29,32)/t20-,22-,24+,26+/m1/s1;   InChIKey=XBPCNRNKOXKUQA-GUAAGHCTSA-N;   SMILES=C1CC(C1)C(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@H]4CO)CC(=O)NCCC5=CC=CC=C5
 xref: LINCS:LSM-10400

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Term Annotations click to browse term
  CHEBI ontology 19875
    chemical entity 19875
      molecular entity 19872
        polyatomic entity 19786
          molecule 19618
            cyclic compound 19435
              homocyclic compound 18305
                carbocyclic compound 18305
                  cyclobutanes 119
                    N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic heterocyclic compound 18511
                                  organic heteropolycyclic compound 17900
                                    organic heterobicyclic compound 16826
                                      furopyran 34
                                        N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide 0
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