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ONTOLOGY REPORT - ANNOTATIONS


Term:Bougainvillein-r-I
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Accession:CHEBI:3161 term browser browse the term
Definition:A betalain that has formula C30H36N2O18.
Synonyms:related_synonym: Formula=C30H36N2O18;   InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-34,36-40H,4-5,8-9H2,(H4,35,41,42,43,44,45,46)/t13-,15-,18+,19+,20+,21+,22-,23-,24+,25+,29-,30+/m0/s1;   InChIKey=JFSHCYUNIKQIPE-XAZCMKEVSA-N;   SMILES=OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[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:30513-63-4 "KEGG COMPOUND";   KEGG:C08541;   KNApSAcK:C00001585


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  CHEBI ontology 19764
    role 19711
      biological role 19710
        biochemical role 19210
          metabolite 19184
            alkaloid 5287
              betalain 4
                Bougainvillein-r-I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            heteroorganic entity 19106
                              organochalcogen compound 18802
                                organooxygen compound 18713
                                  carbohydrates and carbohydrate derivatives 12112
                                    carbohydrate 12112
                                      oligosaccharide 440
                                        disaccharide 368
                                          glycosylglucose 50
                                            sophorose 6
                                              sophoroside 6
                                                Bougainvillein-r-I 0
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