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CHEBI:218441 - Neoechinulin C

ChEBI IDCHEBI:218441
ChEBI NameNeoechinulin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27N3O2
Net Charge0
Average Mass389.499
Monoisotopic Mass389.21033
SMILESC=CC(C)(C)c1nc2cc(CC=C(C)C)ccc2c1/C=c1\nc(=O)c(=C)nc1=O
InChIInChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-11-10-16(9-8-14(2)3)12-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13-
InChIKeyWXWNIBJUIDHOOC-MOSHPQCFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/P19770000713)
ChEBI Ontology
Outgoing Relation(s)
Neoechinulin C (CHEBI:218441) is a indoles (CHEBI:24828)
IUPAC Name 
(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Manual XrefsDatabases
10470949ChemSpider