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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:cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine
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Accession:CHEBI:57830 term browser browse the term
Definition:Conjugate base of cyanidin 3-O-rutinoside 5-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
Synonyms:exact_synonym: 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-[(2,4-dideoxy-2,4-dimethyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)chromenium-7-olate
 related_synonym: Formula=C33H40O20;   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)/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1;   InChIKey=DFJZNAHUOVEDQB-HWKLKBEVSA-N;   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;   cyanidin 3-O-rutinoside 5-O-beta-D-glucoside
 xref: MetaCyc:CPD-15002
 cyclic_relationship: is_conjugate_base_of CHEBI:16596


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24815
    chemical entity 24785
      molecular entity 24749
        polyatomic entity 24681
          molecule 24293
            organic molecule 24287
              dipolar compound 1061
                zwitterion 1060
                  onium betaine 421
                    oxonium betaine 0
                      cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24815
    subatomic particle 24774
      composite particle 24774
        hadron 24774
          baryon 24774
            nucleon 24774
              atomic nucleus 24774
                atom 24774
                  main group element atom 24641
                    p-block element atom 24641
                      carbon group element atom 24436
                        carbon atom 24401
                          organic molecular entity 24401
                            organic molecule 24287
                              dipolar compound 1061
                                zwitterion 1060
                                  onium betaine 421
                                    oxonium betaine 0
                                      cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine 0
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