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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        anti-asthmatic agent 9304
          picrinine 0
            ervincine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              organic hydroxy compound 18928
                                alcohol 15673
                                  aliphatic alcohol 11842
                                    alkyl alcohol 11750
                                      methanol 3957
                                        methyl ester 3904
                                          picrinine 0
                                            ervincine 0
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