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CHEBI:224342 - Rubrumline J

ChEBI IDCHEBI:224342
ChEBI NameRubrumline J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESC=CC(C)(C)c1nc2ccccc2c1C[C@@H]1NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C19H23N3O3/c1-4-19(2,3)16-12(11-7-5-6-8-13(11)20-16)9-14-17(24)22-15(10-23)18(25)21-14/h4-8,14-15,20,23H,1,9-10H2,2-3H3,(H,21,25)(H,22,24)/t14-,15-/m0/s1
InChIKeyALXJKUQKWHRWQQ-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline J (CHEBI:224342) has functional parent α-amino acid (CHEBI:33704)
Rubrumline J (CHEBI:224342) is a organonitrogen compound (CHEBI:35352)
Rubrumline J (CHEBI:224342) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-(hydroxymethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
40256787ChemSpider