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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:Prebetanin
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Accession:CHEBI:8367 term browser browse the term
Definition:A betalain that has formula C24H26N2O16S.
Synonyms:related_synonym: Formula=C24H26N2O16S;   InChI=1S/C24H26N2O16S/c27-15-7-13-10(6-16(15)41-24-20(30)19(29)18(28)17(42-24)8-40-43(37,38)39)5-14(23(35)36)26(13)2-1-9-3-11(21(31)32)25-12(4-9)22(33)34/h1-3,6-7,12,14,17-20,24,28-30H,4-5,8H2,(H5,27,31,32,33,34,35,36,37,38,39)/t12-,14+,17-,18-,19+,20-,24-/m1/s1;   InChIKey=OZXPZOHWSFDUDY-RYGANQNKSA-N;   SMILES=O[C@@H]1[C@@H](COS([O-])(=O)=O)O[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]1O
 xref: CAS:13798-16-8;   KEGG:C08567;   KNApSAcK:C00001606


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Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      biological role 501
        biochemical role 459
          metabolite 450
            alkaloid 14
              betalain 0
                Prebetanin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    main group molecular entity 494
                      s-block molecular entity 440
                        hydrogen molecular entity 439
                          hydrides 369
                            inorganic hydride 330
                              pnictogen hydride 329
                                nitrogen hydride 329
                                  azane 324
                                    ammonia 324
                                      organic amino compound 324
                                        amino acid 39
                                          non-proteinogenic amino acid 3
                                            non-proteinogenic alpha-amino acid 3
                                              betanidin 0
                                                Prebetanin 0
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