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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:erucifoline
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Accession:CHEBI:136462 term browser browse the term
Definition:A pyrrolizine alkaloid that is produced by several Jacobaea species and displays toxicity towards insect herbivores.
Synonyms:exact_synonym: (5aR,8Z,9aS,10aR,13bR)-8-ethylidene-9a-(hydroxymethyl)-10a-methyl-2,4,5,5a,8,9,9a,10a,13,13b-decahydrooxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione
 related_synonym: Formula=C18H23NO6;   InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+/m1/s1;   InChIKey=NOQVBHHOUTTZGE-LUZNJDLOSA-N;   SMILES=C/1(\\C[C@]2(O[C@]2(C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C)CO)=C/C
 xref: AGR:IND22014228;   CAS:40158-95-0;   Chemspider:57579891
 xref_mesh: MESH:C459639
 xref: PMID:11978435;   PMID:15081286;   PMID:21819407;   PMID:21969251;   PMID:24981118;   PMID:25607464;   PMID:28267991;   PMID:29377789;   Reaxys:5456751


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      application 19411
        pesticide 16587
          insecticide 13871
            erucifoline 0
              acetylerucifoline 0
              acetylerucifoline N-oxide 0
              erucifoline 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
                                          senecionan 216
                                            erucifoline 0
                                              acetylerucifoline 0
                                              acetylerucifoline N-oxide 0
                                              erucifoline N-oxide 0
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