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CHEBI:220099 - Rubrumazine A

ChEBI IDCHEBI:220099
ChEBI NameRubrumazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33N3O4
Net Charge0
Average Mass439.556
Monoisotopic Mass439.24711
SMILESC=CC(C)(C)c1nc2c(C[C@H](O)C(C)(C)OC)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C25H33N3O4/c1-8-24(3,4)21-17(13-18-23(31)26-14(2)22(30)27-18)16-11-9-10-15(20(16)28-21)12-19(29)25(5,6)32-7/h8-11,13-14,19,28-29H,1,12H2,2-7H3,(H,26,31)(H,27,30)/b18-13-/t14-,19-/m0/s1
InChIKeyGLTPMFUAKYLYRX-LZDXRCLUSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (25730346)
ChEBI Ontology
Outgoing Relation(s)
Rubrumazine A (CHEBI:220099) has functional parent α-amino acid (CHEBI:33704)
Rubrumazine A (CHEBI:220099) is a organonitrogen compound (CHEBI:35352)
Rubrumazine A (CHEBI:220099) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[7-[(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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35516923ChemSpider