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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 242
    role 242
      biological role 242
        biochemical role 203
          metabolite 196
            alkaloid 14
              pyrrolizine alkaloid 0
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 242
    subatomic particle 242
      composite particle 242
        hadron 242
          baryon 242
            nucleon 242
              atomic nucleus 242
                atom 242
                  main group element atom 235
                    p-block element atom 235
                      carbon group element atom 223
                        carbon atom 222
                          organic molecular entity 222
                            organic molecule 217
                              organic cyclic compound 201
                                organic heterocyclic compound 162
                                  organic heteropolycyclic compound 79
                                    organic heterobicyclic compound 43
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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