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Term:11beta,13-dihydrolactucopicrin 15-oxalate
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Accession:CHEBI:90281 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-dihydrolactucopicrin. Found in chicory.
Synonyms:exact_synonym: {[(3S,3aR,4S,9aS,9bR)-4-{[(4-hydroxyphenyl)acetyl]oxy}-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-dihydrolactucopicrin 15-oxalate;   15-oxalyl-11beta,13-dihydrolactucopicrin;   Formula=C25H24O10;   InChI=1S/C25H24O10/c1-11-7-17(34-18(28)8-13-3-5-15(26)6-4-13)20-12(2)24(31)35-22(20)21-14(9-16(27)19(11)21)10-33-25(32)23(29)30/h3-6,9,12,17,20-22,26H,7-8,10H2,1-2H3,(H,29,30)/t12-,17-,20+,21-,22-/m0/s1;   InChIKey=QJXQSIRIBHYSRP-ZUQDHHQASA-N;   SMILES=O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3([C@H](C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O

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  CHEBI ontology 19716
    role 19663
      application 19308
        food additive 14584
          food acidity regulator 11491
            acetic acid 10588
              4-hydroxyphenylacetic acid 1
                11beta,13-dihydrolactucopicrin 15-oxalate 0
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      ketone 15909
                                        cyclic ketone 13335
                                          alicyclic ketone 1044
                                            cyclic terpene ketone 126
                                              lactucin 0
                                                11beta,13-dihydrolactucopicrin 15-oxalate 0
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