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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 19893
    role 19863
      chemical role 19493
        fuel additive 3276
          toluene 3265
            benzyl group 2675
              phenylalanine 2675
                phenylalanine derivative 2637
                  Erinacerin L 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            organic hydride 18705
                              organic fundamental parent 18705
                                hydrocarbon 18451
                                  cyclic hydrocarbon 17241
                                    monocyclic hydrocarbon 6167
                                      annulene 5820
                                        aromatic annulene 5820
                                          benzene 5820
                                            alkylbenzene 3539
                                              methylbenzene 3393
                                                toluene 3265
                                                  benzyl group 2675
                                                    phenylalanine 2675
                                                      phenylalanine derivative 2637
                                                        Erinacerin L 0
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