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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:Pelargonidin 3-O-galactoside
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Accession:CHEBI:176349 term browser browse the term
Synonyms:exact_synonym: 2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
 related_synonym: Formula=C21H21O10;   InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1;   InChIKey=ABVCUBUIXWJYSE-UHFFFAOYSA-O;   SMILES=O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO
 xref: Chemspider:11557816;   HMDB:HMDB0033682


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19901
    chemical entity 19899
      molecular entity 19899
        ion 17100
          organic ion 11453
            organic cation 8962
              anthocyanidin cation 148
                anthocyanidin glycoside 2
                  Pelargonidin 3-O-galactoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19901
    subatomic particle 19899
      composite particle 19899
        hadron 19899
          baryon 19899
            nucleon 19899
              atomic nucleus 19899
                atom 19899
                  main group element atom 19838
                    p-block element atom 19838
                      carbon group element atom 19778
                        carbon atom 19775
                          organic molecular entity 19775
                            organic molecule 19728
                              organic cyclic compound 19519
                                organic heterocyclic compound 18898
                                  oxacycle 17925
                                    benzopyran 11982
                                      1-benzopyran 11736
                                        chromenes 4436
                                          chromene 148
                                            2H-chromene 148
                                              chromenyliums 148
                                                chromenylium 148
                                                  flavylium 148
                                                    anthocyanidin cation 148
                                                      anthocyanidin glycoside 2
                                                        Pelargonidin 3-O-galactoside 0
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