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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:samaderine X
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Accession:CHEBI:66162 term browser browse the term
Definition:A quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and cytotoxic activity.
Synonyms:exact_synonym: (1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate
 related_synonym: Formula=C22H28O9;   InChI=1S/C22H28O9/c1-8-5-11(24)17(26)20(3)10(8)6-12-22-7-29-21(4,18(27)13(25)15(20)22)16(22)14(19(28)31-12)30-9(2)23/h5,10,12-18,25-27H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1;   InChIKey=PLUUPKMBPOFNDA-JEFQDFFJSA-N;   SMILES=[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(C)=O)C(=O)O2
 xref: PMID:8945767;   Reaxys:7669489


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        biochemical role 4951
          metabolite 4939
            samaderine X 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            heteroorganic entity 4779
                              organochalcogen compound 4741
                                organooxygen compound 4703
                                  carbonyl compound 4654
                                    ketone 4357
                                      oxyketone 4308
                                        alpha-oxyketone 4308
                                          alpha-hydroxy ketone 4308
                                            secondary alpha-hydroxy ketone 4292
                                              samaderine X 0
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