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CHEBI:216566 - Dihydroneochinulin B

ChEBI IDCHEBI:216566
ChEBI NameDihydroneochinulin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21N3O2
Net Charge0
Average Mass323.396
Monoisotopic Mass323.16338
SMILESC=CC(C)(C)c1nc2ccccc2c1C[C@@H]1NC(=O)C(=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/h5-9,15,21H,1-2,10H2,3-4H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChIKeyKEETUKMQVSFVNW-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23539310)
ChEBI Ontology
Outgoing Relation(s)
Dihydroneochinulin B (CHEBI:216566) is a indoles (CHEBI:24828)
IUPAC Name 
(3S)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylidenepiperazine-2,5-dione
Manual XrefsDatabases
30771002ChemSpider