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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 842
    role 819
      biological role 819
        biochemical role 693
          metabolite 677
            alkaloid 29
              betalain 0
                Isobetanin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 842
    subatomic particle 826
      composite particle 826
        hadron 826
          baryon 826
            nucleon 826
              atomic nucleus 826
                atom 826
                  main group element atom 814
                    p-block element atom 811
                      carbon group element atom 782
                        carbon atom 778
                          organic molecular entity 778
                            organic group 358
                              organic divalent group 356
                                organodiyl group 356
                                  carbonyl group 355
                                    carbonyl compound 355
                                      carboxylic acid 241
                                        amino acid 124
                                          alpha-amino acid 92
                                            non-proteinogenic alpha-amino acid 6
                                              betanidin 0
                                                Isobetanin 0
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