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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-[(2R,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide
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Accession:CHEBI:99879 term browser browse the term
Definition:A thiophene that has formula C29H31N3O6S.
Synonyms:related_synonym: Formula=C29H31N3O6S;   InChI=1S/C29H31N3O6S/c1-32-23-10-9-21(15-27(33)30-16-18-5-3-6-20(13-18)36-2)38-25(23)17-37-24-11-8-19(14-22(24)29(32)35)31-28(34)26-7-4-12-39-26/h3-8,11-14,21,23,25H,9-10,15-17H2,1-2H3,(H,30,33)(H,31,34)/t21-,23+,25+/m1/s1;   InChIKey=DZYZVJKKUJSUJU-VTZPFEBOSA-N;   SMILES=CN1[C@H]2CC[C@@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CS4)CC(=O)NCC5=CC(=CC=C5)OC
 xref: LINCS:LSM-11258


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Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      atom 5043
        nonmetal atom 5006
          nitrogen atom 501
            nitrogen molecular entity 495
              amide 211
                aromatic amide 7
                  N-[(2R,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                organic heterocyclic compound 4626
                                  organosulfur heterocyclic compound 45
                                    thiophenes 0
                                      N-[(2R,4aS,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide 0
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