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CHEBI:221231 - Rubrumline E

ChEBI IDCHEBI:221231
ChEBI NameRubrumline E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31N3O4
Net Charge0
Average Mass437.540
Monoisotopic Mass437.23146
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)OC)cc2c1/C=c1\nc(=O)c(=C)nc1=O
InChIInChI=1S/C25H31N3O4/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/h8-11,13,20,27,29H,1-2,12H2,3-7H3,(H,26,31)(H,28,30)/b19-13-/t20-/m0/s1
InChIKeyFVZOTPZNUUTBPN-DTBYZMGXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline E (CHEBI:221231) is a indoles (CHEBI:24828)
IUPAC Name 
(3Z)-3-[[5-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Manual XrefsDatabases
40256784ChemSpider