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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:11beta,13-dihydro-8-deoxylactucin 15-oxalate
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Accession:CHEBI:90278 term browser browse the term
Definition:A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydro-8-deoxylactucin. Found in chicory.
Synonyms:exact_synonym: {[(3S,3aS,9aS,9bS)-3,6-dimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methoxy}(oxo)acetic acid
 related_synonym: 11,13-dihydro-8-deoxylactucin;   15-oxalyl-11beta,13-dihydro-8-deoxylactucin;   Formula=C17H18O7;   InChI=1S/C17H18O7/c1-7-3-4-10-8(2)16(21)24-14(10)13-9(5-11(18)12(7)13)6-23-17(22)15(19)20/h5,8,10,13-14H,3-4,6H2,1-2H3,(H,19,20)/t8-,10-,13-,14-/m0/s1;   InChIKey=DLXJJCZRGOSZAZ-LMVZTGKYSA-N;   SMILES=O(CC1=CC(=O)C2=C(C)CC[C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])C(C(=O)O)=O



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        biochemical role 19540
          metabolite 19527
            eukaryotic metabolite 19349
              plant metabolite 17967
                11beta,13-dihydro-8-deoxylactucin 15-oxalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            heteroorganic entity 19498
                              organochalcogen compound 19259
                                organooxygen compound 19175
                                  carbonyl compound 18899
                                    dicarboxylic acids and O-substituted derivatives 11130
                                      dicarboxylic acid 11124
                                        alpha,omega-dicarboxylic acid 3172
                                          oxalic acid 17
                                            11beta,13-dihydro-8-deoxylactucin 15-oxalate 0
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