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CHEBI:212104 - Fellutanine A epoxide

ChEBI IDCHEBI:212104
ChEBI NameFellutanine A epoxide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N4O3
Net Charge0
Average Mass388.427
Monoisotopic Mass388.15354
SMILESO=C1N[C@@H](C[C@@]23O[C@@H]2Nc2ccccc23)C(=O)N[C@H]1Cc1cnc2ccccc12
InChIInChI=1S/C22H20N4O3/c27-19-17(9-12-11-23-15-7-3-1-5-13(12)15)24-20(28)18(25-19)10-22-14-6-2-4-8-16(14)26-21(22)29-22/h1-8,11,17-18,21,23,26H,9-10H2,(H,24,28)(H,25,27)/t17-,18-,21-,22-/m0/s1
InChIKeyISNSFZNUXFJHFZ-GPHNJDIKSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (27447650)
ChEBI Ontology
Outgoing Relation(s)
Fellutanine A epoxide (CHEBI:212104) has functional parent α-amino acid (CHEBI:33704)
Fellutanine A epoxide (CHEBI:212104) is a organonitrogen compound (CHEBI:35352)
Fellutanine A epoxide (CHEBI:212104) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[[(1aS,6bS)-1a,2-dihydrooxireno[2,3-b]indol-6b-yl]methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
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58197066ChemSpider