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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 24485
    role 24397
      biological role 24364
        biochemical role 23779
          metabolite 23702
            alkaloid 5818
              pyrrolizine alkaloid 213
                jacobine 0
                  18-hydroxyjacobine 0
                  jacobine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24485
    subatomic particle 24442
      composite particle 24442
        hadron 24442
          baryon 24442
            nucleon 24442
              atomic nucleus 24442
                atom 24442
                  main group element atom 24300
                    p-block element atom 24300
                      carbon group element atom 24084
                        carbon atom 24047
                          organic molecular entity 24047
                            organic molecule 23929
                              organic cyclic compound 23125
                                organic heterocyclic compound 21324
                                  organic heteropolycyclic compound 20429
                                    organic heterobicyclic compound 17842
                                      pyrrolizines 398
                                        pyrrolizine alkaloid 213
                                          jacobine 0
                                            18-hydroxyjacobine 0
                                            jacobine N-oxide 0
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