EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217824 - Rubrumline D

ChEBI IDCHEBI:217824
ChEBI NameRubrumline D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29N3O4
Net Charge0
Average Mass423.513
Monoisotopic Mass423.21581
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)O)cc2c1/C=c1\nc(=O)c(=C)nc1=O
InChIInChI=1S/C24H29N3O4/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/h7-10,12,19,26,28,31H,1-2,11H2,3-6H3,(H,25,30)(H,27,29)/b18-12-/t19-/m0/s1
InChIKeyXRXRJPUJKHKSBM-OVCORXIESA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline D (CHEBI:217824) is a indoles (CHEBI:24828)
IUPAC Name 
(3Z)-3-[[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Manual XrefsDatabases
40256783ChemSpider