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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'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside
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Accession:CHEBI:192845 term browser browse the term
Synonyms:exact_synonym: [(2S,4S,5S)-2-[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
 related_synonym: Formula=C33H32O20;   InChI=1S/C33H32O20/c34-8-19-23(43)26(46)30(51-31(47)11-4-16(40)22(42)17(41)5-11)33(49-19)53-29-24(44)20(9-35)50-32(29)52-28-25(45)21-15(39)6-12(36)7-18(21)48-27(28)10-1-2-13(37)14(38)3-10/h1-7,19-20,23-24,26,29-30,32-44,46H,8-9H2/t19?,20-,23-,24?,26+,29+,30?,32+,33+/m1/s1;   InChIKey=JPICQHQVPWZCIW-ZNFLAGFDSA-N;   SMILES=O([C@H]1C(O)[C@H](O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO)[C@@H]5OC([C@@H](O)[C@H](O)C5OC(=O)C6=CC(O)=C(O)C(O)=C6)CO
 xref: Chemspider:24843603;   LIPID_MAPS_instance:LMPK12110568

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              flavonoids 0
                Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside 0
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