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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:vobtusine
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Accession:CHEBI:10016 term browser browse the term
Definition:An alkaloid ester that has formula C43H50N4O6.
Synonyms:related_synonym: Formula=C43H50N4O6;   InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1;   InChIKey=IIMPGJMHQMBXKL-OPDPKHDKSA-N;   SMILES=[H][C@@]12C[C@]3(CN4CC[C@@]56C(Nc7ccccc57)=C(C[C@@]5(CCO[C@@]35[H])[C@]46[H])C(=O)OC)CN3c4c(OC)cccc4[C@@]4(CCN5CC[C@]6([H])OCC[C@]6(C1)[C@@]45[H])[C@]23O
 xref: Beilstein:4641215;   Beilstein:77486;   CAS:19772-79-3;   KEGG:C09254;   KNApSAcK:C00001787


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Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      application 19734
        fuel 11364
          methanol 3967
            methyl ester 3913
              vobtusine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      chalcogen 19614
                        oxygen atom 19586
                          oxygen molecular entity 19586
                            hydroxides 19389
                              organic hydroxy compound 18997
                                alcohol 15738
                                  aliphatic alcohol 11886
                                    alkyl alcohol 11793
                                      methanol 3967
                                        methyl ester 3913
                                          vobtusine 0
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