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CHEBI:214298 - (+)-neoechinulin A

ChEBI IDCHEBI:214298
ChEBI Name(+)-neoechinulin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21N3O2
Net Charge0
Average Mass323.396
Monoisotopic Mass323.16338
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m1/s1
InChIKeyMYRPIYZIAHOECW-MKVLZVNKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (32212241)
ChEBI Ontology
Outgoing Relation(s)
(+)-neoechinulin A (CHEBI:214298) has functional parent α-amino acid (CHEBI:33704)
(+)-neoechinulin A (CHEBI:214298) is a organonitrogen compound (CHEBI:35352)
(+)-neoechinulin A (CHEBI:214298) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Manual XrefsDatabases
26485365ChemSpider