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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:(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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Accession:CHEBI:130829 term browser browse the term
Definition:An aromatic compound that has formula C28H30N2O4.
Synonyms:related_synonym: Formula=C28H30N2O4;   InChI=1S/C28H30N2O4/c31-19-25-27(22-11-9-21(10-12-22)8-4-7-20-5-2-1-3-6-20)24-17-29(18-26(32)30(24)25)28(33)23-13-15-34-16-14-23/h1-3,5-6,9-12,23-25,27,31H,7,13-19H2/t24-,25+,27-/m0/s1;   InChIKey=OTPKLDQQMJMGEP-WEWMWRJBSA-N;   SMILES=C1COCCC1C(=O)N2C[C@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CCC5=CC=CC=C5
 xref: LINCS:LSM-42378


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  CHEBI ontology 19792
    chemical entity 19791
      molecular entity 19787
        polyatomic entity 19697
          molecule 19515
            cyclic compound 19291
              aromatic compound 19072
                (6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  group 19698
                    polyatomic entity 19697
                      molecule 19515
                        cyclic compound 19291
                          aromatic compound 19072
                            (6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one 0
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