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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)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
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Accession:CHEBI:110157 term browser browse the term
Definition:An aromatic ether that has formula C30H37N3O5.
Synonyms:related_synonym: Formula=C30H37N3O5;   InChI=1S/C30H37N3O5/c1-21-18-33(22(2)20-34)30(36)26-16-24(11-7-10-23-8-5-4-6-9-23)17-31-28(26)38-27(21)19-32(3)29(35)25-12-14-37-15-13-25/h4-6,8-9,16-17,21-22,25,27,34H,10,12-15,18-20H2,1-3H3/t21-,22-,27+/m0/s1;   InChIKey=NEJWGONYBYROJQ-BCQCSXDESA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
 xref: LINCS:LSM-21584


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Term Annotations click to browse term
  CHEBI ontology 22210
    chemical entity 22209
      group 22105
        polyatomic entity 22105
          molecule 21702
            organic molecule 21678
              organic cyclic compound 21285
                organic aromatic compound 20769
                  aromatic ether 16767
                    N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22210
    subatomic particle 22202
      composite particle 22202
        hadron 22202
          baryon 22202
            nucleon 22202
              atomic nucleus 22202
                atom 22202
                  main group element atom 22136
                    main group molecular entity 22136
                      p-block molecular entity 22136
                        carbon group molecular entity 21936
                          organic molecular entity 21861
                            heteroorganic entity 21517
                              organochalcogen compound 21005
                                organooxygen compound 20846
                                  ether 18198
                                    aromatic ether 16767
                                      N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide 0
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