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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 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              pyrrolizine alkaloid 0
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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