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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:riddelliine N-oxide
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Accession:CHEBI:136421 term browser browse the term
Definition:A pyrrolizine alkaloid that is 13,19-didehydrosenecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent.
Synonyms:exact_synonym: (3Z,6S,14aR,14bR)-3-ethylidene-6-hydroxy-6-(hydroxymethyl)-5-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
 related_synonym: (15Z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione 4-oxide;   Formula=C18H23NO7;   InChI=1S/C18H23NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-,19?/m1/s1;   InChIKey=NPENPMDVCQGSSO-AHPXGCJSSA-N;   SMILES=[C@@]12([N+]3(CC[C@H]1OC(/C(/CC(=C)[C@@](C(OCC2=CC3)=O)(CO)O)=C\\C)=O)[O-])[H]
 xref: CAS:75056-11-0;   Chemspider:4944586;   PMID:11170513;   PMID:11513723;   PMID:12693032;   PMID:14580895;   PMID:14979525;   PMID:15649625;   PMID:18395999;   PMID:18842697;   PMID:2021243;   PMID:23937665;   Reaxys:6751274



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  CHEBI ontology 19834
    role 19810
      biological role 19808
        aetiopathogenetic role 19185
          genotoxin 17672
            riddelliine N-oxide 0
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  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18879
                                    carbonyl compound 18879
                                      carboxylic ester 16481
                                        lactone 12523
                                          macrocyclic lactone 5922
                                            macrolide 5861
                                              macropolylide 759
                                                macrodiolide 756
                                                  riddelliine 138
                                                    riddelliine N-oxide 0
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