CHEBI:217852 - Rubrumline N

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ChEBI Name Rubrumline N
ChEBI ID CHEBI:217852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H25N3O3
Net Charge 0
Average Mass 355.438
Monoisotopic Mass 355.18959
InChI InChI=1S/C20H25N3O3/c1-6-20(3,4)17-14(12-9-7-8-10-13(12)22-17)16(26-5)15-19(25)21-11(2)18(24)23-15/h6-11,15-16,22H,1H2,2-5H3,(H,21,25)(H,23,24)/t11-,15-,16?/m0/s1
InChIKey IYOQFKGLWNJULG-QUJPKXGGSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1C(OC)C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Metabolite of Species Details
Aspergillus ruber (NCBI:txid396024) See: PubMed
ChEBI Ontology
Outgoing Rubrumline N (CHEBI:217852) has functional parent α-amino acid (CHEBI:33704)
Rubrumline N (CHEBI:217852) is a organonitrogen compound (CHEBI:35352)
Rubrumline N (CHEBI:217852) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-3-[methoxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual Xref Database
40256791 ChemSpider
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