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CHEBI:217811 - Rubrumline B

ChEBI IDCHEBI:217811
ChEBI NameRubrumline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N3O4
Net Charge0
Average Mass439.556
Monoisotopic Mass439.24711
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)OC)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C25H33N3O4/c1-8-24(3,4)21-17(13-19-23(31)26-14(2)22(30)28-19)16-11-15(9-10-18(16)27-21)12-20(29)25(5,6)32-7/h8-11,13-14,20,27,29H,1,12H2,2-7H3,(H,26,31)(H,28,30)/b19-13-/t14-,20-/m0/s1
InChIKeyGDCFGMRVMYKKLJ-PXKUGPOMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline B (CHEBI:217811) has functional parent α-amino acid (CHEBI:33704)
Rubrumline B (CHEBI:217811) is a organonitrogen compound (CHEBI:35352)
Rubrumline B (CHEBI:217811) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[5-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
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40256781ChemSpider