Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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:delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine
go back to main search page
Accession:CHEBI:145695 term browser browse the term
Definition:A conjugate base of delphinidin 3-O-rutinoside-7-O-beta-D-glucoside arising from selective deprotonation of the 5-hydroxy group; major species at pH 7.3.
Synonyms:exact_synonym: 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate
 related_synonym: 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-5-olate;   Formula=C33H40O21;   InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-13(35)4-11(50-32-28(46)25(43)22(40)18(7-34)53-32)5-16(12)51-30(17)10-2-14(36)21(39)15(37)3-10/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/t9-,18+,19+,20-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+/m0/s1;   InChIKey=RNPFWTUNILZAAJ-GNQVHQKOSA-N;   SMILES=[O-]C=1C2=CC(=C([O+]=C2C=C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C1)C4=CC(O)=C(O)C(O)=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O
 xref: MetaCyc:CPD-16558
 cyclic_relationship: is_conjugate_base_of CHEBI:145693


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            organic molecule 0
              dipolar compound 0
                zwitterion 0
                  onium betaine 0
                    oxonium betaine 0
                      delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine 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
                            organic molecule 0
                              dipolar compound 0
                                zwitterion 0
                                  onium betaine 0
                                    oxonium betaine 0
                                      delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine 0
paths to the root