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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:novacine
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Accession:CHEBI:132669 term browser browse the term
Definition:A monoterpenoid indole alkaloid with formula C24H28N2O3, originallly isolated from the seeds of Strychnos nux-vomica.
Synonyms:exact_synonym: (4aR,6aS,12aS,12bR,12cS)-8,9-dimethoxy-15-methyl-4a,5,12,12a,12b,12c-hexahydro-11H-6a,4-(ethanoiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthene-6,11(2H)-dione
 related_synonym: 2,3-dimethoxy-19-methyl-16,19-seco-strychnidine-10,16-dione;   Formula=C24H28N2O5;   InChI=1S/C24H28N2O5/c1-25-6-5-24-15-9-17(29-2)18(30-3)10-16(15)26-21(28)11-19-22(23(24)26)14(8-20(24)27)13(12-25)4-7-31-19/h4,9-10,14,19,22-23H,5-8,11-12H2,1-3H3/t14-,19-,22-,23-,24+/m0/s1;   InChIKey=POLBLONFVZXVPI-SVFVWZOVSA-N;   SMILES=[C@@]123[C@@]4([C@]5([C@@](CC1=O)(C(CN(CC2)C)=CCO[C@]5(CC(N4C6=C3C=C(C(=C6)OC)OC)=O)[H])[H])[H])[H]
 xref: PMID:10471592;   PMID:25594733;   PMID:7912074;   Reaxys:65991


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      application 19668
        NMR chemical shift reference compound 18008
          ammonia 17825
            organic amino compound 17825
              tertiary amino compound 10141
                novacine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17697
                                        univalent carboacyl group 17697
                                          carbamoyl group 17547
                                            carboxamide 17547
                                              lactam 8394
                                                delta-lactam 1209
                                                  novacine 0
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