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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:klymollin G
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Accession:CHEBI:68957 term browser browse the term
Definition:An eunicellin diterpenoid isolated from the soft coral Klyxum molle.
Synonyms:exact_synonym: rel-(1S,2S,3S,4R,4aR,5R,6R,9S,10S,12R,12aS)-2,3,6-tris(acetyloxy)-10-hydroxy-6,10-dimethyl-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxiran]-9-yl hexadecanoate
 related_synonym: Formula=C42H70O11;   InChI=1S/C42H70O11/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(46)52-32-23-24-41(8,53-30(6)45)38-35-34(27(2)3)37(49-28(4)43)39(50-29(5)44)42(26-48-42)36(35)31(51-38)25-40(32,7)47/h27,31-32,34-39,47H,9-26H2,1-8H3/t31-,32+,34-,35-,36-,37+,38-,39+,40+,41-,42-/m1/s1;   InChIKey=CRUQATXTOIHPSF-FCGGQWSASA-N;   SMILES=CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]11CO1
 xref: PMID:22004052;   Reaxys:22123648



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  CHEBI ontology 22188
    role 22173
      application 21755
        anti-inflammatory agent 17219
          klymollin G 0
Path 2
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  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      carbon group element atom 21915
                        carbon atom 21840
                          organic molecular entity 21840
                            organic group 20283
                              organic divalent group 20165
                                organodiyl group 20165
                                  carbonyl group 20159
                                    carbonyl compound 20159
                                      carboxylic acid 19557
                                        monocarboxylic acid 18919
                                          fatty acid 17128
                                            saturated fatty acid 16850
                                              straight-chain saturated fatty acid 16278
                                                hexadecanoic acid 2214
                                                  klymollin G 0
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