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CHEBI:140442 - 12-epi-fischerindole U

ChEBI IDCHEBI:140442
ChEBI Name12-epi-fischerindole U
Stars
ASCII Name12-epi-fischerindole U
DefinitionA tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
Last Modified15 August 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24N2
Net Charge0
Average Mass304.437
Monoisotopic Mass304.19395
SMILES[H][C@@]12c3c(nc4ccccc34)C(C)(C)[C@@]1([H])CC[C@@](C)(C=C)[C@@H]2[N+]#[C-]
InChIInChI=1S/C21H24N2/c1-6-21(4)12-11-14-17(19(21)22-5)16-13-9-7-8-10-15(13)23-18(16)20(14,2)3/h6-10,14,17,19,23H,1,11-12H2,2-4H3/t14-,17-,19+,21+/m0/s1
InChIKeyNEYJIGPAQAKWSI-QBGRRASTSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:1433842) - PubMed (27348090) Strain: UTEX B 1830
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12-epi-fischerindole U (CHEBI:140442) has role bacterial metabolite (CHEBI:76969)
12-epi-fischerindole U (CHEBI:140442) is a fischerindole alkaloid (CHEBI:141619)
12-epi-fischerindole U (CHEBI:140442) is a isocyanide (CHEBI:35353)
12-epi-fischerindole U (CHEBI:140442) is a organic heterotetracyclic compound (CHEBI:38163)
Synonym  Source
(6aS,9S,10R,10aS)-9-ethenyl-10-isocyano-6,6,9-trimethyl-5H,6aH,7H,8H,10H,10aH-indeno[2,1-b]indoleSUBMITTER
UniProt Name  Source
12-epi-fischerindole UUniProt
Manual XrefsDatabases
CPD-20797MetaCyc
Registry NumbersSources
Reaxys:7144608Reaxys
Citations