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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:Petunidin 3-arabinoside
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Accession:CHEBI:176112 term browser browse the term
Synonyms:exact_synonym: (2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
 related_synonym: Formula=C21H21O11.Cl;   InChI=1S/C21H20O11.ClH/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20;/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26);1H/t13-,18-,19+,21-;/m0./s1;   InChIKey=DGLWRNZJQCODBU-IMBWBGPSSA-N;   SMILES=[Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)[C@H](O)[C@@H](O)[C@@H](O)C1
 xref: CAS:679429-94-8;   Chemspider:52083807


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  CHEBI ontology 19904
    chemical entity 19902
      atom 19902
        nonmetal atom 19825
          oxygen atom 19565
            oxygen molecular entity 19565
              flavonoids 11635
                Petunidin 3-arabinoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19841
                    p-block element atom 19841
                      carbon group element atom 19779
                        carbon atom 19776
                          organic molecular entity 19776
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19219
                                  carbohydrates and carbohydrate derivatives 15318
                                    carbohydrate 15318
                                      carbohydrate derivative 14342
                                        glycosyl compound 13085
                                          glycoside 11859
                                            Petunidin 3-arabinoside 0
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