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CHEBI:217846 - Rubrumline M

ChEBI IDCHEBI:217846
ChEBI NameRubrumline M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N3O3
Net Charge0
Average Mass341.411
Monoisotopic Mass341.17394
SMILESC=CC(C)(C)c1nc2ccccc2c1C(O)[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C19H23N3O3/c1-5-19(3,4)16-13(11-8-6-7-9-12(11)21-16)15(23)14-18(25)20-10(2)17(24)22-14/h5-10,14-15,21,23H,1H2,2-4H3,(H,20,25)(H,22,24)/t10-,14-,15?/m0/s1
InChIKeyWWTLLWSFFUIRKA-BNVJPMHFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
Eurotium (ncbitaxon:28569) - PubMed (28125012)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline M (CHEBI:217846) has functional parent α-amino acid (CHEBI:33704)
Rubrumline M (CHEBI:217846) is a organonitrogen compound (CHEBI:35352)
Rubrumline M (CHEBI:217846) is a organooxygen compound (CHEBI:36963)
IUPAC Names 
(3S,6S)-3-[hydroxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
(3S,6S)-3-[(R)-hydroxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual XrefsDatabases
40256790ChemSpider
61362108ChemSpider