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CHEBI:226105 - Rubrumazine B

ChEBI IDCHEBI:226105
ChEBI NameRubrumazine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O4
Net Charge0
Average Mass425.529
Monoisotopic Mass425.23146
SMILESC=CC(C)(C)c1nc2c(C[C@H](O)C(C)(C)O)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-17-22(30)25-13(2)21(29)26-17)15-10-8-9-14(19(15)27-20)11-18(28)24(5,6)31/h7-10,12-13,18,27-28,31H,1,11H2,2-6H3,(H,25,30)(H,26,29)/b17-12-/t13-,18-/m0/s1
InChIKeyBGZGVRPXCLBHLM-NRXXELKWSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (25730346)
ChEBI Ontology
Outgoing Relation(s)
Rubrumazine B (CHEBI:226105) has functional parent α-amino acid (CHEBI:33704)
Rubrumazine B (CHEBI:226105) is a organonitrogen compound (CHEBI:35352)
Rubrumazine B (CHEBI:226105) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
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35516924ChemSpider