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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 21562
    role 21541
      biological role 21539
        biochemical role 20709
          metabolite 20660
            alkaloid 5676
              pyrrolizine alkaloid 206
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21562
    subatomic particle 21548
      composite particle 21548
        hadron 21548
          baryon 21548
            nucleon 21548
              atomic nucleus 21548
                atom 21548
                  main group element atom 21454
                    p-block element atom 21454
                      carbon group element atom 21247
                        carbon atom 21145
                          organic molecular entity 21145
                            organic molecule 21039
                              organic cyclic compound 20598
                                organic heterocyclic compound 19456
                                  organic heteropolycyclic compound 18973
                                    organic heterobicyclic compound 17737
                                      pyrrolizines 377
                                        pyrrolizine alkaloid 206
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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