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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:1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside
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Accession:CHEBI:69536 term browser browse the term
Definition:A monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6'-O-acetyl)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis.
Synonyms:exact_synonym: 4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-acetyl-beta-D-glucopyranoside
 related_synonym: 1,3,6-Tmaqag;   Formula=C23H22O11;   InChI=1S/C23H22O11/c1-8-14(33-23-22(31)21(30)20(29)15(34-23)7-32-9(2)24)6-13-16(17(8)26)19(28)11-4-3-10(25)5-12(11)18(13)27/h3-6,15,20-23,25-26,29-31H,7H2,1-2H3/t15-,20-,21+,22-,23-/m1/s1;   InChIKey=NZFWKPNBKZRWCW-NOGCDZMRSA-N;   SMILES=CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[C@@H](O)[C@@H]1O
 xref: CAS:132367-98-7;   PMID:21973054;   Reaxys:22020815


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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      biological role 22162
        epitope 7180
          beta-D-glucose 1670
            beta-D-glucoside 1478
              1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            heteroorganic entity 21482
                              organochalcogen compound 20966
                                organooxygen compound 20806
                                  carbohydrates and carbohydrate derivatives 16021
                                    carbohydrate 16041
                                      monosaccharide 5002
                                        aldose 3411
                                          aldohexose 3048
                                            glucose 3013
                                              D-glucose 3000
                                                D-glucopyranose 1815
                                                  beta-D-glucose 1670
                                                    beta-D-glucoside 1478
                                                      1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside 0
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