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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 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            alkaloid 5625
              pyrrolizine alkaloid 216
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic molecule 19504
                              organic cyclic compound 19331
                                organic heterocyclic compound 18519
                                  organic heteropolycyclic compound 17978
                                    organic heterobicyclic compound 16778
                                      pyrrolizines 386
                                        pyrrolizine alkaloid 216
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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