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CHEBI:217852 - Rubrumline N

ChEBI IDCHEBI:217852
ChEBI NameRubrumline N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N3O3
Net Charge0
Average Mass355.438
Monoisotopic Mass355.18959
SMILESC=CC(C)(C)c1nc2ccccc2c1C(OC)[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C20H25N3O3/c1-6-20(3,4)17-14(12-9-7-8-10-13(12)22-17)16(26-5)15-19(25)21-11(2)18(24)23-15/h6-11,15-16,22H,1H2,2-5H3,(H,21,25)(H,23,24)/t11-,15-,16?/m0/s1
InChIKeyIYOQFKGLWNJULG-QUJPKXGGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline N (CHEBI:217852) has functional parent α-amino acid (CHEBI:33704)
Rubrumline N (CHEBI:217852) is a organonitrogen compound (CHEBI:35352)
Rubrumline N (CHEBI:217852) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[methoxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual XrefsDatabases
40256791ChemSpider