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CHEBI:217827 - Rubrumline F

ChEBI IDCHEBI:217827
ChEBI NameRubrumline F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35N3O4
Net Charge0
Average Mass441.572
Monoisotopic Mass441.26276
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)OC)cc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C25H35N3O4/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/h8-11,14,19-20,27,29H,1,12-13H2,2-7H3,(H,26,31)(H,28,30)/t14-,19-,20-/m0/s1
InChIKeyFKTMIKDIGGZXRC-GKCIPKSASA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - PubMed (25681711)
ChEBI Ontology
Outgoing Relation(s)
Rubrumline F (CHEBI:217827) has functional parent α-amino acid (CHEBI:33704)
Rubrumline F (CHEBI:217827) is a organonitrogen compound (CHEBI:35352)
Rubrumline F (CHEBI:217827) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[[5-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
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40256785ChemSpider