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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:(\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid
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Accession:CHEBI:169263 term browser browse the term
Synonyms:exact_synonym: [6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate
 related_synonym: Formula=C36H36O20S;   InChI=1S/C36H36O20S/c37-14-3-1-11(5-17(14)40)33-21(44)7-13-16(39)8-19(42)24(35(13)56-33)27-26-22(54-34(30(27)47)12-2-4-15(38)18(41)6-12)9-20(43)25(29(26)46)36-32(49)31(48)28(45)23(55-36)10-53-57(50,51)52/h1-6,8-9,21,23,27-28,30-34,36-49H,7,10H2,(H,50,51,52);   InChIKey=YJKASEDSROLSMT-UHFFFAOYSA-N;   SMILES=S(OCC1OC(C(O)C(O)C1O)C2=C(O)C=3C(C(O)C(OC3C=C2O)C4=CC(O)=C(O)C=C4)C=5C=6OC(C(O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)(O)(=O)=O
 xref: HMDB:HMDB0126757


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              flavonoids 0
                flavonoid oligomer 0
                  (\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid 0
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  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
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid oligomer 0
                                          (\{6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl\}methoxy)sulfonic acid 0
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