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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:massadine
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Accession:CHEBI:73199 term browser browse the term
Definition:An alkaloid isolated from Stylissa massa.
Synonyms:related_synonym: Formula=C22H24Br4N10O5;   InChI=1S/C22H24Br4N10O5/c23-7-1-9(31-13(7)25)15(38)29-3-5-6(4-30-16(39)10-2-8(24)14(26)32-10)12(37)21-11(5)22(40)18(34-20(28)36-22)41-17(21)33-19(27)35-21/h1-2,5-6,11-12,17-18,31-32,37,40H,3-4H2,(H,29,38)(H,30,39)(H3,27,33,35)(H3,28,34,36)/t5-,6-,11+,12+,17+,18-,21+,22-/m1/s1;   InChIKey=MJHZRZBAUGHJOJ-RVJSRHHYSA-N;   SMILES=[H][C@]12NC(=N)N[C@@]1(O)[C@@]1([H])[C@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@@H](CNC(=O)c3cc(Br)c(Br)[nH]3)[C@H](O)[C@@]11NC(=N)N[C@@]1([H])O2
 xref: PMID:12816422;   PMID:21932242;   Reaxys:9539519
 cyclic_relationship: is_conjugate_base_of CHEBI:66684



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Term Annotations click to browse term
  CHEBI ontology 19757
    role 19730
      biological role 19728
        biochemical role 19441
          metabolite 19427
            alkaloid 7777
              massadine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19757
    subatomic particle 19755
      composite particle 19755
        hadron 19755
          baryon 19755
            nucleon 19755
              atomic nucleus 19755
                atom 19755
                  main group element atom 19703
                    p-block element atom 19703
                      carbon group element atom 19649
                        carbon atom 19645
                          organic molecular entity 19645
                            organic group 18859
                              organic divalent group 18845
                                organodiyl group 18845
                                  carbonyl group 18809
                                    carbonyl compound 18809
                                      carboxylic acid 18530
                                        carboacyl group 17659
                                          univalent carboacyl group 17659
                                            carbamoyl group 17499
                                              carboxamide 17499
                                                monocarboxylic acid amide 15559
                                                  pyrrolecarboxamide 12
                                                    massadine 0
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