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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 D
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Accession:CHEBI:223789 term browser browse the term
Synonyms:exact_synonym: methyl (2S)-4-[[6-benzyl-1-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]-4-oxopyridine-3-carbonyl]amino]-2-methyl-4-oxobutanoate
 related_synonym: Formula=C33H32N2O8;   InChI=1S/C33H32N2O8/c1-21(33(40)42-3)14-30(37)34-32(39)26-20-35(24(17-28(26)36)15-22-10-6-4-7-11-22)27(16-23-12-8-5-9-13-23)29-18-25(41-2)19-31(38)43-29/h4-13,17-21,27H,14-16H2,1-3H3,(H,34,37,39)/t21-,27-/m0/s1;   InChIKey=JPEFGJBPMMMOHN-IDISGSTGSA-N;   SMILES=O=C1OC(=CC(=C1)OC)[C@@H](N2C(=CC(=O)C(=C2)C(=O)NC(=O)C[C@@H](C(=O)OC)C)CC3=CC=CC=C3)CC4=CC=CC=C4
 xref: Chemspider:58196439

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              organooxygen compound 0
                ether 0
                  aromatic ether 0
                    Aspernigrin D 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        delta-lactone 0
                                          2-pyranones 0
                                            Aspernigrin D 0
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