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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:Aspernigrin C
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Accession:CHEBI:202781 term browser browse the term
Synonyms:exact_synonym: (2S)-4-[[6-benzyl-1-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid
 related_synonym: Formula=C32H30N2O8;   InChI=1S/C32H30N2O8/c1-20(32(39)40)13-29(36)33-31(38)25-19-34(23(16-27(25)35)14-21-9-5-3-6-10-21)26(15-22-11-7-4-8-12-22)28-17-24(41-2)18-30(37)42-28/h3-12,16-20,26H,13-15H2,1-2H3,(H,39,40)(H,33,36,38)/t20-,26-/m0/s1;   InChIKey=FWBIJYAFBSWBPA-FNZWTVRRSA-N;   SMILES=O=C1OC(=CC(=C1)OC)[C@@H](N2C(=CC(=O)C(=C2)C(=O)NC(=O)C[C@@H](C(=O)O)C)CC3=CC=CC=C3)CC4=CC=CC=C4
 xref: Chemspider:58196438


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22210
    chemical entity 22209
      atom 22202
        nonmetal atom 22086
          oxygen atom 21443
            oxygen molecular entity 21443
              organooxygen compound 20847
                ether 18200
                  aromatic ether 16770
                    Aspernigrin C 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
                    p-block element atom 22136
                      carbon group element atom 21936
                        carbon atom 21861
                          organic molecular entity 21861
                            heteroorganic entity 21517
                              organochalcogen compound 21006
                                organooxygen compound 20847
                                  ester 18316
                                    carboxylic ester 17394
                                      lactone 13698
                                        delta-lactone 3949
                                          2-pyranones 764
                                            Aspernigrin C 0
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