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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:16-epivellosimine
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Accession:CHEBI:16425 term browser browse the term
Definition:An indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised.
Synonyms:exact_synonym: 16-episarpagan-17-al
 related_synonym: Formula=C19H20N2O;   InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1;   InChIKey=MHASSCPGKAMILD-MIOJWWSHSA-N;   SMILES=C\\C=C1\\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C=O
 alt_id: CHEBI:11329;   CHEBI:765
 xref: KEGG:C11633;   MetaCyc:16-EPIVELLOSIMINE;   PDBeChem:EVS;   PMID:17404987;   PMID:20392128;   Reaxys:6894765


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      application 19703
        solvent 17229
          formic acid 9094
            formyl group 9055
              aldehyde 9055
                16-epivellosimine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  carbon oxoacid 18666
                                    carboxylic acid 18663
                                      carboacyl group 17715
                                        univalent carboacyl group 17690
                                          formyl group 9055
                                            aldehyde 9055
                                              16-epivellosimine 0
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