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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:cneorin-NP36
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Accession:CHEBI:69012 term browser browse the term
Definition:A tirucallane terpenoid isolated from Dysoxylum lenticellatum.
Synonyms:related_synonym: (13alpha,14beta,17alpha,20R,22S,23S,24S)-22,23:24,25-diepoxylanost-7-en-3-one;   Formula=C30H46O3;   InChI=1S/C30H46O3/c1-17(23-24(32-23)25-27(4,5)33-25)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24+,25+,28-,29+,30-/m1/s1;   InChIKey=AQUMMBMETGRMAU-LQJOTZTKSA-N;   SMILES=C[C@@H]([C@@H]1O[C@@H]1C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
 xref: PMID:21954912;   Reaxys:6540956

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        main group molecular entity 0
          gas molecular entity 0
            oxirane 0
              epoxide 0
                cneorin-NP36 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        alicyclic ketone 0
                                          cyclic terpene ketone 0
                                            cneorin-NP36 0
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