Send us a Message

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


The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

go back to main search page
Accession:CHEBI:75428 term browser browse the term
Definition:A disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a 6-O-sinapoyl-beta-D-glucosyl residue.
Synonyms:exact_synonym: (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-{6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-D-glucitol
 related_synonym: Formula=C38H40O19;   InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)44)3-8-26(43)53-14-25-31(46)33(48)35(50)38(56-25)57-37-34(49)30(45)24(13-39)55-36(37)28-19(42)12-21-27(32(28)47)18(41)11-20(54-21)16-4-6-17(40)7-5-16/h3-12,24-25,30-31,33-40,42,44-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31+,33+,34+,35-,36+,37-,38+/m1/s1;   InChIKey=RRKRYMFERCNLRT-CEMCUFJKSA-N;   SMILES=COc1cc(\\C=C\\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O

show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        MALDI matrix material 949
          trans-sinapic acid 0
            2''-O-(6-sinapoylglucosyl)isovitexin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        monocarboxylic acid 17636
                                          alpha,beta-unsaturated monocarboxylic acid 12219
                                            cinnamic acids 2421
                                              hydroxycinnamic acid 1271
                                                monohydroxycinnamic acid 933
                                                  sinapic acid 18
                                                    trans-sinapic acid 0
                                                      2''-O-(6-sinapoylglucosyl)isovitexin 0
paths to the root