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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:12-epi-fischerindole G
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Accession:CHEBI:141002 term browser browse the term
Definition:An organic heterotetracyclic compound that is 5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole which is substituted at positions 6, 6, and 9 by methyl groups, and at positions 8, 9, and 10 by chlorine, vinyl, and isocyano groups respectively (the 6aS,8R,9S,10R,10aS stereoisomer). It is an indole alkaloid produced by the Stigonematales genus of cyanobacteria.
Synonyms:exact_synonym: (6aS,8R,9S,10R,10aS)-8-chloro-10-isocyano-6,6,9-trimethyl-9-vinyl-5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole
 related_synonym: 12-epi-fischerindole G isonitrile;   Formula=C21H23ClN2;   InChI=1S/C21H23ClN2/c1-6-21(4)15(22)11-13-17(19(21)23-5)16-12-9-7-8-10-14(12)24-18(16)20(13,2)3/h6-10,13,15,17,19,24H,1,11H2,2-4H3/t13-,15+,17-,19+,21+/m0/s1;   InChIKey=ADPQVXWEVQETCB-AGPIPWNKSA-N;   SMILES=C12=CC=CC=C1NC3=C2[C@]4([C@H]([C@]([C@@H](C[C@@]4(C3(C)C)[H])Cl)(C)C=C)[N+]#[C-])[H]
 xref: MetaCyc:CPD-20803;   PMID:19035635;   PMID:25218740;   PMID:26749394;   PMID:27027281



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  CHEBI ontology 19848
    role 19824
      biological role 19822
        biochemical role 19533
          metabolite 19519
            prokaryotic metabolite 18596
              bacterial metabolite 18596
                12-epi-fischerindole G 0
Path 2
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  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
                              organonitrogen compound 18816
                                alkaloid 7827
                                  indole alkaloid 1952
                                    hapalindole-type alkaloid 0
                                      fischerindole alkaloid 0
                                        12-epi-fischerindole G 0
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