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CHEBI:209189 - 12-epi-fisherindole U isothiocyanate

ChEBI IDCHEBI:209189
ChEBI Name12-epi-fisherindole U isothiocyanate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2S
Net Charge0
Average Mass336.504
Monoisotopic Mass336.16602
SMILESC=C[C@]1(C)CC[C@H]2[C@@H](c3c(nc4ccccc34)C2(C)C)[C@H]1N=C=S
InChIInChI=1S/C21H24N2S/c1-5-21(4)11-10-14-17(19(21)22-12-24)16-13-8-6-7-9-15(13)23-18(16)20(14,2)3/h5-9,14,17,19,23H,1,10-11H2,2-4H3/t14-,17-,19+,21+/m0/s1
InChIKeySKPZPLQBYCKOGH-QBGRRASTSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon welwitschii (ncbitaxon:162986) - DOI (10.1021/jo00226a009)
ChEBI Ontology
Outgoing Relation(s)
12-epi-fisherindole U isothiocyanate (CHEBI:209189) is a indoles (CHEBI:24828)
IUPAC Name 
(6aS,9S,10R,10aS)-9-ethenyl-10-isothiocyanato-6,6,9-trimethyl-5,6a,7,8,10,10a-hexahydroindeno[2,1-b]indole
Manual XrefsDatabases
78440662ChemSpider