CHEBI:217846 - Rubrumline M

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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 Rubrumline M
ChEBI ID CHEBI:217846
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H23N3O3
Net Charge 0
Average Mass 341.411
Monoisotopic Mass 341.17394
InChI InChI=1S/C19H23N3O3/c1-5-19(3,4)16-13(11-8-6-7-9-12(11)21-16)15(23)14-18(25)20-10(2)17(24)22-14/h5-10,14-15,21,23H,1H2,2-4H3,(H,20,25)(H,22,24)/t10-,14-,15?/m0/s1
InChIKey WWTLLWSFFUIRKA-BNVJPMHFSA-N
SMILES O=C1N[C@H](C(=O)N[C@H]1C(O)C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Metabolite of Species Details
Eurotium (NCBI:txid28569) See: PubMed
Aspergillus ruber (NCBI:txid396024) See: PubMed
ChEBI Ontology
Outgoing Rubrumline M (CHEBI:217846) has functional parent α-amino acid (CHEBI:33704)
Rubrumline M (CHEBI:217846) is a organonitrogen compound (CHEBI:35352)
Rubrumline M (CHEBI:217846) is a organooxygen compound (CHEBI:36963)
IUPAC Names
(3S,6S)-3-[(R)-hydroxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
(3S,6S)-3-[hydroxy-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
Manual Xrefs Databases
40256790 ChemSpider
61362108 ChemSpider
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