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ONTOLOGY REPORT - ANNOTATIONS


Term:cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
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Accession:CHEBI:16596 term browser browse the term
Definition:An anthocyanin cation that is cyanidin in which the hydroxyl hydrogens at positions 3 and 5 are replaced by rutinosyl and glucosyl residues respectively.
Synonyms:exact_synonym: 3-[6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside
 related_synonym: 3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside;   Formula=C33H41O20;   InChI=1S/C33H40O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37)/p+1/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1;   InChIKey=DFJZNAHUOVEDQB-HWKLKBEVSA-O;   SMILES=C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
 alt_id: CHEBI:14040;   CHEBI:23432;   CHEBI:31443;   CHEBI:3977
 xref: CAS:135558-26-8;   CAS:62024-14-0;   KEGG:C12646;   MetaCyc:CPD-15002
 cyclic_relationship: is_conjugate_acid_of CHEBI:57830


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Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      chemical role 19268
        antioxidant 14223
          cyanidin cation 49
            cyanidin 3-O-rutinoside 5-O-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            heteroorganic entity 19152
                              organochalcogen compound 18851
                                organooxygen compound 18769
                                  oxacycle 17132
                                    benzopyran 9474
                                      1-benzopyran 9169
                                        chromenes 910
                                          chromene 144
                                            4H-chromene 144
                                              chromenyliums 144
                                                chromenylium 144
                                                  flavylium 144
                                                    anthocyanidin cation 144
                                                      5-hydroxyanthocyanidin 93
                                                        cyanidin cation 49
                                                          cyanidin 3-O-rutinoside 5-O-beta-D-glucoside 0
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