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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:(6S,7S,8R)-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:126963 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+/m1/s1;   InChIKey=OTPKLDQQMJMGEP-OBDYRVMHSA-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-38526


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Term Annotations click to browse term
  CHEBI ontology 862
    chemical entity 862
      molecular entity 860
        polyatomic entity 825
          molecule 723
            cyclic compound 633
              aromatic compound 519
                (6S,7S,8R)-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 862
    subatomic particle 847
      composite particle 847
        hadron 847
          baryon 847
            nucleon 847
              atomic nucleus 847
                atom 847
                  group 825
                    polyatomic entity 825
                      molecule 723
                        cyclic compound 633
                          aromatic compound 519
                            (6S,7S,8R)-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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