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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:dihydroergocornine
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Accession:CHEBI:59909 term browser browse the term
Definition:Ergocornine in which a single bond replaces the double bond between positions 9 and 10.
Synonyms:exact_synonym: (10alphaH)-12'-hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)-9,10-dihydroergotaman
 related_synonym: 9,10-dihydroergocornine;   Formula=C31H41N5O5;   InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1;   InChIKey=SEALOBQTUQIVGU-QNIJNHAOSA-N;   SMILES=[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
 xref: Beilstein:102148;   CAS:25447-65-8;   Drug_Central:3184



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        biochemical role 19517
          metabolite 19504
            alkaloid 7816
              indole alkaloid 1944
                ergotaman 43
                  dihydroergocornine 0
                    dihydroergocornine mesylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            organic group 18947
                              cyclic organic group 1944
                                organic heterobicyclic ring 1944
                                  indole skeleton 1944
                                    indole alkaloid 1944
                                      terpenoid indole alkaloid 1499
                                        hemiterpenoid indole alkaloid 28
                                          ergot alkaloid 28
                                            ergocornine 0
                                              dihydroergocornine 0
                                                dihydroergocornine mesylate + 0
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