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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:jacobine
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Accession:CHEBI:6080 term browser browse the term
Definition:A citraconoyl group that has formula C18H25NO6.
Synonyms:related_synonym: Formula=C18H25NO6;   InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1;   InChIKey=IAPHXJRHXBQDQJ-WKMWQDDRSA-N;   SMILES=C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
 xref: CAS:6870-67-3;   KEGG:C10339;   KNApSAcK:C00002096
 xref_mesh: MESH:C013581


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 885
    role 865
      biological role 865
        biochemical role 729
          metabolite 717
            alkaloid 46
              pyrrolizine alkaloid 0
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 885
    subatomic particle 870
      composite particle 870
        hadron 870
          baryon 870
            nucleon 870
              atomic nucleus 870
                atom 870
                  main group element atom 860
                    p-block element atom 857
                      carbon group element atom 833
                        carbon atom 832
                          organic molecular entity 832
                            organic molecule 745
                              organic cyclic compound 654
                                organic heterocyclic compound 364
                                  organic heteropolycyclic compound 255
                                    organic heterobicyclic compound 99
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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