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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-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
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Accession:CHEBI:95882 term browser browse the term
Definition:A benzodioxole that has formula C29H32N2O7S.
Synonyms:related_synonym: Formula=C29H32N2O7S;   InChI=1S/C29H32N2O7S/c1-19-15-31(20(2)17-32)39(34,35)28-12-10-22(21-7-5-4-6-8-21)13-26(28)38-27(19)16-30(3)29(33)23-9-11-24-25(14-23)37-18-36-24/h4-14,19-20,27,32H,15-18H2,1-3H3/t19-,20-,27+/m1/s1;   InChIKey=YBZIDMTZSSULOY-DVHCVUMVSA-N;   SMILES=C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)O[C@H]1CN(C)C(=O)C4=CC5=C(C=C4)OCO5)[C@H](C)CO
 xref: LINCS:LSM-7261


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Term Annotations click to browse term
  CHEBI ontology 22304
    chemical entity 22303
      atom 22299
        nonmetal atom 22130
          oxygen atom 21491
            oxygen molecular entity 21491
              organooxygen compound 20897
                oxacycle 18913
                  benzodioxoles 8591
                    N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22304
    subatomic particle 22299
      composite particle 22299
        hadron 22299
          baryon 22299
            nucleon 22299
              atomic nucleus 22299
                atom 22299
                  main group element atom 22180
                    p-block element atom 22180
                      carbon group element atom 21982
                        carbon atom 21922
                          organic molecular entity 21922
                            organic molecule 21750
                              organic cyclic compound 21368
                                organic heterocyclic compound 20382
                                  organic heteropolycyclic compound 19677
                                    organic heterobicyclic compound 18252
                                      benzodioxoles 8591
                                        N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^\{6\},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide 0
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