EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207799 - Rubrumazine C

ChEBI IDCHEBI:207799
ChEBI NameRubrumazine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H33N3O4
Net Charge0
Average Mass427.545
Monoisotopic Mass427.24711
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)O)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H33N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,13,18-19,26,28,31H,1,11-12H2,2-6H3,(H,25,30)(H,27,29)/t13-,18-,19-/m0/s1
InChIKeyLRRYXTKTIYROOY-AGRHKRQWSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (25730346)
ChEBI Ontology
Outgoing Relation(s)
Rubrumazine C (CHEBI:207799) is a indoles (CHEBI:24828)
IUPAC Name 
(3S,6S)-3-[[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual XrefsDatabases
78441282ChemSpider