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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:picrinine
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Accession:CHEBI:70505 term browser browse the term
Definition:A natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris.
Synonyms:exact_synonym: methyl (19E)-2alpha,5beta-1,2-dihydro-2,5-epoxyakuammilan-17-oate
 related_synonym: 16-de[(acetyloxy)methyl]picraline;   2alpha,5alpha-epoxy-1,2-dihydroakuammilan-17-oic acid methyl ester;   Formula=C20H22N2O3;   InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1;   InChIKey=BDXYPHKGNUGUFG-VETGLWQVSA-N;   Methyl(2alpha,5alpha,19E)-1,2-dihydro-2,5-epoxyakuammilan-17-oate;   SMILES=[H][C@]12C[C@]34[C@H](C(=O)OC)[C@@]5([H])C[C@]([H])(N1C\\C5=C\\C)[C@]3(NC1=C4C=CC=C1)O2;   deacetyldeformopicraline
 xref: CAS:4684-32-6;   KNApSAcK:C00025196;   PMID:18205369;   PMID:19851925;   PMID:20189404;   PMID:20219658;   PMID:20381600;   PMID:21043460;   PMID:22900200;   PMID:24491148;   PMID:24597784;   PMID:26134260;   PMID:26848097;   PMID:27161345;   PMID:29496577;   PMID:30192480;   PMID:31055046;   PMID:32387234;   PMID:33148433;   PMID:34325978;   PMID:34410141;   PMID:35166361;   PMID:35888731;   Patent:CN101538271;   Wikipedia:Picrinine


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        anti-asthmatic agent 9312
          picrinine 0
            ervincine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      chalcogen 19563
                        oxygen atom 19535
                          oxygen molecular entity 19535
                            hydroxides 19341
                              organic hydroxy compound 18951
                                alcohol 15716
                                  aliphatic alcohol 11880
                                    alkyl alcohol 11787
                                      methanol 3971
                                        methyl ester 3917
                                          picrinine 0
                                            ervincine 0
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