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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-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
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Accession:CHEBI:124749 term browser browse the term
Definition:A benzodioxole that has formula C30H37N5O6.
Synonyms:related_synonym: Formula=C30H37N5O6;   InChI=1S/C30H37N5O6/c1-18-13-35(20(3)16-36)30(38)22-7-6-8-23(31-29(37)24-11-19(2)32-34(24)5)28(22)41-27(18)15-33(4)14-21-9-10-25-26(12-21)40-17-39-25/h6-12,18,20,27,36H,13-17H2,1-5H3,(H,31,37)/t18-,20+,27+/m0/s1;   InChIKey=JBQLQJBKRILBSN-CPLYKCMESA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@H](C)CO
 xref: LINCS:LSM-36191

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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
                  benzodioxoles 0
                    N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide 0
Path 2
Term Annotations click to browse term
  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
                                      benzodioxoles 0
                                        N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide 0
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