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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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-dihydrolactucin 15-oxalate
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Accession:CHEBI:90270 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-dihydrolactucin. Found in chicory.
Synonyms:exact_synonym: {[(3S,3aR,4S,9aS,9bR)-4-hydroxy-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-dihydrolactucin 15-oxalate;   15-oxalyl-11beta,13-dihydrolactucin;   Formula=C17H18O8;   InChI=1S/C17H18O8/c1-6-3-9(18)12-7(2)16(22)25-14(12)13-8(4-10(19)11(6)13)5-24-17(23)15(20)21/h4,7,9,12-14,18H,3,5H2,1-2H3,(H,20,21)/t7?,9-,12+,13-,14-/m0/s1;   InChIKey=ZIRFGNHEXDKBIN-WMNLTVTKSA-N;   SMILES=O=C(O)C(=O)OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)C(C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]

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  CHEBI ontology 19860
    role 19832
      biological role 19830
        biochemical role 19538
          metabolite 19525
            eukaryotic metabolite 19347
              plant metabolite 17966
                11beta,13-dihydrolactucin 15-oxalate 0
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  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            heteroorganic entity 19494
                              organochalcogen compound 19257
                                organooxygen compound 19173
                                  carbonyl compound 18897
                                    ketone 17186
                                      cyclic ketone 15703
                                        alicyclic ketone 1181
                                          cyclic terpene ketone 145
                                            lactucin 0
                                              11beta,13-dihydrolactucin 15-oxalate 0
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