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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 26041
    role 25957
      application 25179
        fuel 11765
          methanol 4049
            methyl ester 3993
              vobtusine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      chalcogen 24924
                        oxygen atom 24814
                          oxygen molecular entity 24814
                            hydroxides 24056
                              organic hydroxy compound 22071
                                alcohol 16631
                                  aliphatic alcohol 12216
                                    alkyl alcohol 12106
                                      methanol 4049
                                        methyl ester 3993
                                          vobtusine 0
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