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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-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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Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      application 19557
        food additive 15861
          food acidity regulator 11840
            acetic acid 10936
              4-hydroxyphenylacetic acid 1
                11beta,13-dihydrolactucopicrin 15-oxalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19644
                        carbon atom 19640
                          organic molecular entity 19640
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18799
                                    carbonyl compound 18799
                                      ketone 17108
                                        cyclic ketone 15667
                                          alicyclic ketone 1128
                                            cyclic terpene ketone 138
                                              lactucin 0
                                                11beta,13-dihydrolactucopicrin 15-oxalate 0
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