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ONTOLOGY REPORT - ANNOTATIONS


Term:Isobetanin
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Accession:CHEBI:5985 term browser browse the term
Definition:A betalain that has formula C24H26N2O13.
Synonyms:related_synonym: Formula=C24H26N2O13;   InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37)/t12-,14+,17-,18-,19+,20-,24-/m1/s1;   InChIKey=DHHFDKNIEVKVKS-RYGANQNKSA-N;   SMILES=OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\\[N+](=C/C=C4C[C@@H](NC(=C\\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
 xref: CAS:15121-53-6;   KEGG:C08551;   KNApSAcK:C00001593


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Term Annotations click to browse term
  CHEBI ontology 23810
    role 23697
      biological role 23660
        biochemical role 23004
          metabolite 22898
            alkaloid 5483
              betalain 3
                Isobetanin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23810
    subatomic particle 23761
      composite particle 23761
        hadron 23761
          baryon 23761
            nucleon 23761
              atomic nucleus 23761
                atom 23761
                  main group element atom 23578
                    p-block element atom 23578
                      carbon group element atom 23292
                        carbon atom 23245
                          organic molecular entity 23245
                            organic group 21924
                              organic divalent group 21896
                                organodiyl group 21896
                                  carbonyl group 21869
                                    carbonyl compound 21869
                                      carboxylic acid 20917
                                        amino acid 13074
                                          alpha-amino acid 7926
                                            non-proteinogenic alpha-amino acid 1558
                                              betanidin 3
                                                Isobetanin 0
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