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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,3R,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
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Accession:CHEBI:98563 term browser browse the term
Definition:A methoxybenzene that has formula C21H28N2O5.
Synonyms:related_synonym: Formula=C21H28N2O5;   InChI=1S/C21H28N2O5/c1-27-16-7-2-4-14(10-16)12-22-20(25)11-17-8-9-18(19(13-24)28-17)23-21(26)15-5-3-6-15/h2,4,7-10,15,17-19,24H,3,5-6,11-13H2,1H3,(H,22,25)(H,23,26)/t17-,18+,19+/m0/s1;   InChIKey=QDYPPDFKKOAHDR-IPMKNSEASA-N;   SMILES=COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3CCC3
 xref: LINCS:LSM-9942


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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-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-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
                                carbocyclic compound 18305
                                  benzenoid aromatic compound 17344
                                    benzenes 17087
                                      methoxybenzenes 1843
                                        N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide 0
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