CHEBI:207799 - Rubrumazine C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rubrumazine C
ChEBI ID CHEBI:207799
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H33N3O4
Net Charge 0
Average Mass 427.545
Monoisotopic Mass 427.24711
InChI InChI=1S/C24H33N3O4/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/h7-10,13,18-19,26,28,31H,1,11-12H2,2-6H3,(H,25,30)(H,27,29)/t13-,18-,19-/m0/s1
InChIKey LRRYXTKTIYROOY-AGRHKRQWSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1CC=2C3=C(C=CC(=C3)C[C@H](O)C(O)(C)C)NC2C(C=C)(C)C)C
Metabolite of Species Details
Eurotium (NCBI:txid28569) See: PubMed
ChEBI Ontology
Outgoing Rubrumazine C (CHEBI:207799) is a indoles (CHEBI:24828)
IUPAC Name
(3S,6S)-3-[[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual Xref Database
78441282 ChemSpider
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