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CHEBI:218503 - Neoechinulin D

ChEBI IDCHEBI:218503
ChEBI NameNeoechinulin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N3O2
Net Charge0
Average Mass391.515
Monoisotopic Mass391.22598
SMILESC=CC(C)(C)c1nc2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H29N3O2/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/h7-8,10-13,15,26H,1,9H2,2-6H3,(H,25,29)(H,27,28)/b20-13-/t15-/m0/s1
InChIKeyYCCLECFRSYOPML-HYTQYMIGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/P19770000713)
ChEBI Ontology
Outgoing Relation(s)
Neoechinulin D (CHEBI:218503) has functional parent α-amino acid (CHEBI:33704)
Neoechinulin D (CHEBI:218503) is a organonitrogen compound (CHEBI:35352)
Neoechinulin D (CHEBI:218503) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
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34997054ChemSpider