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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 19771
    role 19716
      biological role 19716
        aetiopathogenetic role 18967
          genotoxin 17339
            riddelliine N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic ester 15511
                                        lactone 9717
                                          macrocyclic lactone 1751
                                            macrolide 1622
                                              macropolylide 174
                                                macrodiolide 171
                                                  riddelliine 64
                                                    riddelliine N-oxide 0
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