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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:[2-(\{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-\{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy\}oxan-3-yl\}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid
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Accession:CHEBI:168048 term browser browse the term
Synonyms:exact_synonym: [3,4-dihydroxy-5-[4-hydroxy-4-(hydroxymethyl)-3-sulooxyoxolan-2-yl]oxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
 related_synonym: Formula=C28H30O18S;   InChI=1S/C28H30O18S/c1-12(30)40-9-20-22(34)23(35)24(45-27-25(46-47(37,38)39)28(36,10-29)11-41-27)26(44-20)42-15-6-16(32)21-17(33)8-18(43-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-36H,9-11H2,1H3,(H,37,38,39);   InChIKey=KFXSEJJRYWBXPY-UHFFFAOYSA-N;   SMILES=S(OC1C(O)(COC1OC2C(O)C(O)C(OC2OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)C)CO)(O)(=O)=O
 xref: HMDB:HMDB0125356

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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              flavonoids 0
                [2-(\{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-\{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy\}oxan-3-yl\}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            [2-(\{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-\{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy\}oxan-3-yl\}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid 0
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