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CHEBI:218491 - Neoechinulin E

ChEBI IDCHEBI:218491
ChEBI NameNeoechinulin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17N3O3
Net Charge0
Average Mass323.352
Monoisotopic Mass323.12699
SMILESC=CC(C)(C)C1=Nc2ccccc2C1=Cc1nc(=O)c(=O)nc1O
InChIInChI=1S/C18H17N3O3/c1-4-18(2,3)14-11(10-7-5-6-8-12(10)19-14)9-13-15(22)21-17(24)16(23)20-13/h4-9H,1H2,2-3H3,(H,20,23)(H2,21,22,24)
InChIKeyWNXWQSWPZZTNHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/P19770000713)
ChEBI Ontology
Outgoing Relation(s)
Neoechinulin E (CHEBI:218491) is a indoles (CHEBI:24828)
IUPAC Name 
5-hydroxy-6-[[2-(2-methylbut-3-en-2-yl)indol-3-ylidene]methyl]-1,4-dihydropyrazine-2,3-dione