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CHEBI:210174 - 19S,20-epoxy-18-oxotryprostatin A

ChEBI IDCHEBI:210174
ChEBI Name19S,20-epoxy-18-oxotryprostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O5
Net Charge0
Average Mass411.458
Monoisotopic Mass411.17942
SMILESCOc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(C(=O)[C@H]3OC3(C)C)nc2c1
InChIInChI=1S/C22H25N3O5/c1-22(2)19(30-22)18(26)17-13(12-7-6-11(29-3)9-14(12)23-17)10-15-21(28)25-8-4-5-16(25)20(27)24-15/h6-7,9,15-16,19,23H,4-5,8,10H2,1-3H3,(H,24,27)/t15-,16-,19+/m0/s1
InChIKeyGOFOSEWOHYDMHH-TXPKVOOTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32640519)
ChEBI Ontology
Outgoing Relation(s)
19S,20-epoxy-18-oxotryprostatin A (CHEBI:210174) has functional parent α-amino acid (CHEBI:33704)
19S,20-epoxy-18-oxotryprostatin A (CHEBI:210174) is a organonitrogen compound (CHEBI:35352)
19S,20-epoxy-18-oxotryprostatin A (CHEBI:210174) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[2-[(2S)-3,3-dimethyloxirane-2-carbonyl]-6-methoxy-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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