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CHEBI:210180 - 20-hydroxy-18-oxotryprostatin A

ChEBI IDCHEBI:210180
ChEBI Name20-hydroxy-18-oxotryprostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27N3O5
Net Charge0
Average Mass413.474
Monoisotopic Mass413.19507
SMILESCOc1ccc2c(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c(C(=O)CC(C)(C)O)nc2c1
InChIInChI=1S/C22H27N3O5/c1-22(2,29)11-18(26)19-14(13-7-6-12(30-3)9-15(13)23-19)10-16-21(28)25-8-4-5-17(25)20(27)24-16/h6-7,9,16-17,23,29H,4-5,8,10-11H2,1-3H3,(H,24,27)/t16-,17-/m0/s1
InChIKeyGPLMHHDLYSEADN-IRXDYDNUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32640519)
ChEBI Ontology
Outgoing Relation(s)
20-hydroxy-18-oxotryprostatin A (CHEBI:210180) has functional parent α-amino acid (CHEBI:33704)
20-hydroxy-18-oxotryprostatin A (CHEBI:210180) is a organonitrogen compound (CHEBI:35352)
20-hydroxy-18-oxotryprostatin A (CHEBI:210180) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[2-(3-hydroxy-3-methylbutanoyl)-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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