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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:Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)]
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Accession:CHEBI:187513 term browser browse the term
Synonyms:exact_synonym: [(3S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S)-4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
 related_synonym: Formula=C42H54O25;   InChI=1S/C42H54O25/c1-14-27(47)30(50)34(54)40(60-14)66-37-25(13-59-39-33(53)31(51)28(48)23(11-43)63-39)65-42(38(36(37)56)67-41-35(55)32(52)29(49)24(64-41)12-58-15(2)44)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14?,23?,24?,25?,27-,28+,29+,30-,31?,32?,33+,34?,35?,36-,37+,38?,39+,40-,41-,42+/m0/s1;   InChIKey=QOZYYIZALVCMCA-MPOUXQAESA-N;   SMILES=O1C([C@@H](O[C@@H]2OC([C@H](O)[C@H](O)C2O)C)[C@H](O)C(O[C@@H]3OC([C@@H](O)C(O)C3O)COC(=O)C)[C@@H]1OC=4C=C5OC(=CC(=O)C5=C(O)C4)C6=CC=C(OC)C=C6)CO[C@@H]7OC([C@@H](O)C(O)[C@H]7O)CO
 xref: Chemspider:24843495;   LIPID_MAPS_instance:LMPK12110456

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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              flavonoids 0
                Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)] 0
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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
                                            Acacetin 7-rhamnosyl-(1->4'')[glucosyl-(1->6'')(6'''-acetylsophoroside)] 0
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