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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 22306
    role 22291
      chemical role 21513
        fuel additive 3275
          toluene 3267
            benzyl group 2675
              phenylalanine 2675
                phenylalanine derivative 2637
                  Erinacerin L 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    main group molecular entity 22181
                      s-block molecular entity 21767
                        hydrogen molecular entity 21682
                          hydrides 20793
                            organic hydride 20342
                              organic fundamental parent 20342
                                hydrocarbon 19922
                                  cyclic hydrocarbon 17962
                                    monocyclic hydrocarbon 6215
                                      annulene 5870
                                        aromatic annulene 5870
                                          benzene 5870
                                            alkylbenzene 3543
                                              methylbenzene 3394
                                                toluene 3267
                                                  benzyl group 2675
                                                    phenylalanine 2675
                                                      phenylalanine derivative 2637
                                                        Erinacerin L 0
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