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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:Tritoniopsin C, rel-
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Accession:CHEBI:69361 term browser browse the term
Definition:A butyrate ester that has formula C24H38O6.
Synonyms:related_synonym: Formula=C24H38O6;   InChI=1S/C24H38O6/c1-6-7-19(26)30-23(4)9-8-16(25)13(2)10-17-21-20(22(23)29-17)15-11-18(24(21,5)27)28-12-14(15)3/h14-18,20-22,25,27H,2,6-12H2,1,3-5H3/t14-,15+,16-,17+,18+,20+,21+,22+,23+,24-/m0/s1;   InChIKey=QXOPUTCYOIAJPS-CVMYZUFNSA-N;   SMILES=[H][C@]12CC(=C)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@]([H])(O1)[C@]1([H])[C@]3([H])C[C@@]([H])(OC[C@@H]3C)[C@](C)(O)[C@]21[H];   rel-(1R,2R,3R,4R,7R,8R,9S,10R,13S,16R)-8,13-Dihydroxy-4,8,16-trimethyl-12-methylene-6,17-dioxatetracyclo[8.6.1.1(3,7).0(2,9)]octadec-16-yl butyrate
 xref: PMID:21861494


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  CHEBI ontology 19834
    role 19810
      biological role 19808
        biochemical role 19521
          metabolite 19508
            Tritoniopsin C, rel- 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19731
                        carbon atom 19727
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19248
                                organooxygen compound 19165
                                  carbon oxoacid 18633
                                    carboxylic acid 18630
                                      monocarboxylic acid 18005
                                        fatty acid 16811
                                          short-chain fatty acid 15923
                                            fatty acid 4:0 8227
                                              butyric acid 6723
                                                butyrate ester 2148
                                                  Tritoniopsin C, rel- 0
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