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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:15beta-stemmadenine
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Accession:CHEBI:142656 term browser browse the term
Definition:A monoterpenoid indole alkaloid with forumula C21H26N2O3, isolated from the fruits of Tabernaemontana heyneana.
Synonyms:exact_synonym: methyl (5E,6R,7S)-5-ethylidene-7-(hydroxymethyl)-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
 related_synonym: 15-beta-stemmadenine;   Formula=C21H26N2O3;   InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,17,22,24H,8-13H2,1-2H3/b14-3-/t17-,21+/m1/s1;   InChIKey=MBXJCHZRHROMQA-YVDMJPQFSA-N;   SMILES=C12=C(C=CC=C1)NC=3[C@]([C@]4(/C(/CN(CC4)CCC32)=C\\C)[H])(C(=O)OC)CO


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  CHEBI ontology 19848
    role 19824
      application 19668
        fuel 11354
          methanol 3964
            methyl ester 3910
              15beta-stemmadenine 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
                      chalcogen 19552
                        oxygen atom 19527
                          oxygen molecular entity 19527
                            hydroxides 19334
                              organic hydroxy compound 18967
                                alcohol 15705
                                  aliphatic alcohol 11883
                                    alkyl alcohol 11790
                                      methanol 3964
                                        methyl ester 3910
                                          15beta-stemmadenine 0
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