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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:jasplakinolide R1
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Accession:CHEBI:68273 term browser browse the term
Definition:A cyclodepsipeptide isolated from Jaspis splendens.
Synonyms:exact_synonym: (4R,7R,10S,13S,15E,17R,19S)-7-[(2,6-dibromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
 related_synonym: Formula=C36H44Br2N4O6;   InChI=1S/C36H44Br2N4O6/c1-19-13-20(2)15-22(4)48-32(44)18-29(24-7-10-26(43)11-8-24)41-35(46)31(42(6)36(47)23(5)39-34(45)21(3)14-19)17-28-27-12-9-25(37)16-30(27)40-33(28)38/h7-13,16,20-23,29,31,40,43H,14-15,17-18H2,1-6H3,(H,39,45)(H,41,46)/b19-13+/t20-,21-,22-,23-,29+,31+/m0/s1;   InChIKey=DECYMRKFVIEIJT-DCKISPQZSA-N;   SMILES=C[C@H]1C[C@@H](C)\\C=C(C)\\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3cc(Br)ccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1
 xref: PMID:21241058;   Reaxys:21404711


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            antineoplastic agent 17310
              jasplakinolide R1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        carboacyl group 17441
                                          univalent carboacyl group 17441
                                            carbamoyl group 17248
                                              carboxamide 17248
                                                peptide 9456
                                                  depsipeptide 356
                                                    cyclodepsipeptide 337
                                                      jasplakinolide R1 0
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