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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:lactucopicrin 15-oxalate
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Accession:CHEBI:90280 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 lactucopicrin. Found in chicory.
Synonyms:exact_synonym: {[(3aR,4S,9aS,9bR)-4-{[(4-hydroxyphenyl)acetyl]oxy}-6-methyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-9-yl]methoxy}(oxo)acetic acid
 related_synonym: 15-oxalyllactucopicrin;   Formula=C25H22O10;   InChI=1S/C25H22O10/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/h3-6,9,17,20-22,26H,2,7-8,10H2,1H3,(H,29,30)/t17-,20+,21-,22-/m0/s1;   InChIKey=AUULYUITRYGGJX-XGARDCMYSA-N;   SMILES=O(CC1=CC(=O)C2=C(C)C[C@@H]([C@]3(C(=C)C(=O)O[C@@]3([C@@]12[H])[H])[H])OC(=O)CC=4C=CC(O)=CC4)C(C(=O)O)=O
 xref: CAS:303130-75-8;   KNApSAcK:C00034018


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Term Annotations click to browse term
  CHEBI ontology 19765
    role 19738
      application 19572
        food additive 15864
          food acidity regulator 11845
            acetic acid 10939
              4-hydroxyphenylacetic acid 1
                lactucopicrin 15-oxalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19765
    subatomic particle 19763
      composite particle 19763
        hadron 19763
          baryon 19763
            nucleon 19763
              atomic nucleus 19763
                atom 19763
                  main group element atom 19712
                    p-block element atom 19712
                      carbon group element atom 19658
                        carbon atom 19654
                          organic molecular entity 19654
                            organic group 18856
                              organic divalent group 18842
                                organodiyl group 18842
                                  carbonyl group 18807
                                    carbonyl compound 18807
                                      ketone 17109
                                        cyclic ketone 15669
                                          alicyclic ketone 1130
                                            cyclic terpene ketone 138
                                              lactucin 0
                                                lactucopicrin 15-oxalate 0
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