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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,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
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Accession:CHEBI:101098 term browser browse the term
Definition:An aromatic ether that has formula C29H32N2O5.
Synonyms:related_synonym: Formula=C29H32N2O5;   InChI=1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25+,27-,29-/m1/s1;   InChIKey=MRJCPWMBHXTRFB-SYBYNBCQSA-N;   SMILES=CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5
 xref: LINCS:LSM-12467


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Term Annotations click to browse term
  CHEBI ontology 5053
    chemical entity 5053
      group 5033
        polyatomic entity 5033
          molecule 4876
            organic molecule 4876
              organic cyclic compound 4815
                organic aromatic compound 811
                  aromatic ether 70
                    2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5053
    subatomic particle 5044
      composite particle 5044
        hadron 5044
          baryon 5044
            nucleon 5044
              atomic nucleus 5044
                atom 5044
                  main group element atom 5015
                    main group molecular entity 5014
                      p-block molecular entity 5012
                        carbon group molecular entity 4929
                          organic molecular entity 4928
                            heteroorganic entity 4770
                              organochalcogen compound 4732
                                organooxygen compound 4694
                                  ether 4324
                                    aromatic ether 70
                                      2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide 0
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