CHEBI:222726 - Fellutanine 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 Fellutanine C
ChEBI ID CHEBI:222726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36N4O2
Net Charge 0
Average Mass 508.666
Monoisotopic Mass 508.28383
InChI InChI=1S/C32H36N4O2/c1-7-31(3,4)27-21(19-13-9-11-15-23(19)33-27)17-25-29(37)36-26(30(38)35-25)18-22-20-14-10-12-16-24(20)34-28(22)32(5,6)8-2/h7-16,25-26,33-34H,1-2,17-18H2,3-6H3,(H,35,38)(H,36,37)/t25-,26+
InChIKey UHTOUBUBRNIMLK-WMPKNSHKSA-N
SMILES O=C1N[C@@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2C(C=C)(C)C)CC=4C5=C(C=CC=C5)NC4C(C=C)(C)C
Metabolite of Species Details
Penicillium fellutanum (NCBI:txid70095) See: PubMed
ChEBI Ontology
Outgoing Fellutanine C (CHEBI:222726) has functional parent α-amino acid (CHEBI:33704)
Fellutanine C (CHEBI:222726) is a organonitrogen compound (CHEBI:35352)
Fellutanine C (CHEBI:222726) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6R)-3,6-bis[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Manual Xref Database
8990820 ChemSpider
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