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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:Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside
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Accession:CHEBI:169273 term browser browse the term
Synonyms:exact_synonym: [(2S,5R)-2-[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
 related_synonym: Formula=C41H44O23;   InChI=1S/C41H44O23/c42-12-24-29(51)32(54)34(56)39(60-24)58-18-10-21(47)27-23(11-18)59-35(16-4-7-19(45)20(46)9-16)36(31(27)53)63-41-38(33(55)30(52)25(13-43)61-41)64-40-37(28(50)22(48)14-57-40)62-26(49)8-3-15-1-5-17(44)6-2-15/h1-11,22,24-25,28-30,32-34,37-48,50-52,54-56H,12-14H2/b8-3+/t22-,24+,25?,28?,29-,30-,32?,33+,34?,37?,38?,39-,40+,41+/m1/s1;   InChIKey=VZEXGWGJXZJLPY-KYMIGQRWSA-N;   SMILES=O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O[C@@H]4O[C@H]([C@@H](O)C(O)C4O)CO)C3)C5=CC(O)=C(O)C=C5)CO)[C@@H]6OC[C@@H](O)C(O)C6OC(=O)/C=C/C7=CC=C(O)C=C7
 xref: Chemspider:24844880;   LIPID_MAPS_instance:LMPK12112155



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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              flavonoids 0
                Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            Quercetin 3-(2'''-p-coumarylsambubioside)-7-glucoside 0
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