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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 26034
    role 25961
      application 25172
        food additive 18326
          food acidity regulator 12811
            acetic acid 11427
              4-hydroxyphenylacetic acid 1
                lactucopicrin 15-oxalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbonyl compound 23563
                                    ketone 19347
                                      cyclic ketone 16835
                                        alicyclic ketone 1150
                                          cyclic terpene ketone 148
                                            lactucin 0
                                              lactucopicrin 15-oxalate 0
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