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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:Peonidin 3-glucoside-5-(6''-acetylglucoside)
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Accession:CHEBI:188136 term browser browse the term
Synonyms:exact_synonym: [(3S,4S,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methyl acetate
 related_synonym: Formula=C30H35O17;   InChI=1S/C30H34O17/c1-11(32)42-10-21-23(36)25(38)27(40)29(47-21)44-17-7-13(33)6-16-14(17)8-19(28(43-16)12-3-4-15(34)18(5-12)41-2)45-30-26(39)24(37)22(35)20(9-31)46-30/h3-8,20-27,29-31,35-40H,9-10H2,1-2H3,(H-,33,34)/p+1/t20?,21?,22-,23-,24+,25+,26?,27?,29-,30-/m1/s1;   InChIKey=VVZKXWGDULSESF-QXQVUWIBSA-O;   SMILES=O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=CC(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C([O+]=C3C=C(O)C2)C5=CC(OC)=C(O)C=C5)COC(=O)C
 xref: Chemspider:24842307;   LIPID_MAPS_instance:LMPK12010260

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic cation 0
              anthocyanidin cation 0
                anthocyanidin glycoside 0
                  Peonidin 3-glucoside-5-(6''-acetylglucoside) 0
Path 2
Term Annotations click to browse term
  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
                                        chromenes 0
                                          chromene 0
                                            2H-chromene 0
                                              chromenyliums 0
                                                chromenylium 0
                                                  flavylium 0
                                                    anthocyanidin cation 0
                                                      anthocyanidin glycoside 0
                                                        Peonidin 3-glucoside-5-(6''-acetylglucoside) 0
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