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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:isonordoperoxide
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Accession:CHEBI:66612 term browser browse the term
Definition:A sesquiterpenoid that is 1,4,5,6,7,8-hexahydro-4,7-epidioxyazulen-3(2H)-one substituted by a hydroxy group at position 8, methyl groups at positions 1 and 4 and an isopropyl group at position 7 (the (1R,4R,7S,8S stereoisomer). Isolated from Nardostachys chinensis, it exhibits antimalarial activity.
Synonyms:exact_synonym: (1R,4S,7S,8S)-8-hydroxy-1,4-dimethyl-7-(propan-2-yl)-1,4,5,6,7,8-hexahydro-4,7-epidioxyazulen-3(2H)-one
 related_synonym: Formula=C15H22O4;   InChI=1S/C15H22O4/c1-8(2)15-6-5-14(4,18-19-15)12-10(16)7-9(3)11(12)13(15)17/h8-9,13,17H,5-7H2,1-4H3/t9-,13+,14+,15+/m1/s1;   InChIKey=BDBRZURCDWHOCK-GBALPHGKSA-N;   SMILES=CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O
 xref: Reaxys:8039842



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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      biological role 19861
        biochemical role 19567
          metabolite 19554
            isonordoperoxide 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
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19525
                              organochalcogen compound 19286
                                organooxygen compound 19202
                                  carbonyl compound 18923
                                    ketone 17271
                                      alpha,beta-unsaturated ketone 9987
                                        enone 9987
                                          isonordoperoxide 0
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