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CHEBI:217858 - Rubrumline O

ChEBI IDCHEBI:217858
ChEBI NameRubrumline O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O2
Net Charge0
Average Mass325.412
Monoisotopic Mass325.17903
SMILESC=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](C)NC2=O)c2ccccc21
InChIInChI=1S/C19H23N3O2/c1-5-19(3,4)22-11-13(14-8-6-7-9-16(14)22)10-15-18(24)20-12(2)17(23)21-15/h5-9,11-12,15H,1,10H2,2-4H3,(H,20,24)(H,21,23)/t12-,15-/m0/s1
InChIKeyRGJOYRGQGOLRLW-WFASDCNBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline O (CHEBI:217858) has functional parent α-amino acid (CHEBI:33704)
Rubrumline O (CHEBI:217858) is a organonitrogen compound (CHEBI:35352)
Rubrumline O (CHEBI:217858) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-methyl-6-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione
Manual XrefsDatabases
40256792ChemSpider