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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 19761
    role 19711
      application 19401
        anti-inflammatory agent 15761
          klymollin G 0
Path 2
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  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic group 18593
                              organic divalent group 18584
                                organodiyl group 18584
                                  carbonyl group 18499
                                    carbonyl compound 18499
                                      carboxylic acid 18151
                                        monocarboxylic acid 17523
                                          fatty acid 16011
                                            saturated fatty acid 15985
                                              straight-chain saturated fatty acid 15440
                                                hexadecanoic acid 549
                                                  klymollin G 0
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