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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:Erinacerin L
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Accession:CHEBI:205109 term browser browse the term
Synonyms:exact_synonym: (2S)-2-[5,7-dihydroxy-6-[(E)-6-methoxy-3-methyl-6-oxohex-3-enyl]-3-oxo-1H-isoindol-2-yl]-3-phenylpropanoic acid
 related_synonym: Formula=C25H27NO7;   InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-7,9,13,20,27,29H,8,10-12,14H2,1-2H3,(H,31,32)/b15-9+/t20-/m0/s1;   InChIKey=SKICNQZNRWSMIZ-ULXKQSRTSA-N;   SMILES=O=C1N([C@H](C(=O)O)CC2=CC=CC=C2)CC3=C1C=C(O)C(=C3O)CC/C(=C/CC(=O)OC)/C
 xref: Chemspider:78437237

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  CHEBI ontology 0
    role 0
      chemical role 0
        fuel additive 0
          toluene 0
            benzyl group 0
              phenylalanine 0
                phenylalanine derivative 0
                  Erinacerin L 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  cyclic hydrocarbon 0
                                    monocyclic hydrocarbon 0
                                      annulene 0
                                        aromatic annulene 0
                                          benzene 0
                                            alkylbenzene 0
                                              methylbenzene 0
                                                toluene 0
                                                  benzyl group 0
                                                    phenylalanine 0
                                                      phenylalanine derivative 0
                                                        Erinacerin L 0
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