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ONTOLOGY REPORT - ANNOTATIONS


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 "ChemIDplus";   Chemspider:4944586;   PMID:11170513 "Europe PMC";   PMID:11513723 "Europe PMC";   PMID:12693032 "Europe PMC";   PMID:14580895 "Europe PMC";   PMID:14979525 "Europe PMC";   PMID:15649625 "Europe PMC";   PMID:18395999 "Europe PMC";   PMID:18842697 "Europe PMC";   PMID:2021243 "Europe PMC";   PMID:23937665 "Europe PMC";   Reaxys:6751274 "Reaxys"


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  CHEBI ontology 19679
    role 19623
      biological role 19621
        aetiopathogenetic role 18776
          genotoxin 16051
            riddelliine N-oxide 0
Path 2
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            organic group 18351
                              organic divalent group 18340
                                organodiyl group 18340
                                  carbonyl group 18225
                                    carbonyl compound 18225
                                      carboxylic ester 13956
                                        lactone 5860
                                          macrocyclic lactone 1517
                                            macrolide 1456
                                              riddelliine 64
                                                riddelliine N-oxide 0
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