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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:Roxburghine B
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Accession:CHEBI:8903 term browser browse the term
Definition:An alkaloid that has formula C31H32N4O2.
Synonyms:related_synonym: Formula=C31H32N4O2;   InChI=1S/C31H32N4O2/c1-31-24-17-34-13-11-20-18-7-3-5-9-25(18)32-28(20)27(34)15-22(24)23(30(36)37-2)16-35(31)14-12-21-19-8-4-6-10-26(19)33-29(21)31/h3-10,16,22,24,27,32-33H,11-15,17H2,1-2H3/t22-,24-,27-,31-/m1/s1;   InChIKey=SHKMVIVFLHPOSB-TVRWTGHXSA-N;   SMILES=COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@]2(C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12
 xref: CAS:27932-46-3;   KEGG:C09237;   KNApSAcK:C00001765


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      biological role 19812
        biochemical role 19522
          metabolite 19509
            alkaloid 7825
              Roxburghine B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      p-block molecular entity 19786
                        carbon group molecular entity 19734
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organonitrogen compound 18810
                                alkaloid 7825
                                  Roxburghine B 0
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