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CHEBI:211675 - Spirotryprostatin K

ChEBI IDCHEBI:211675
ChEBI NameSpirotryprostatin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O4
Net Charge0
Average Mass383.448
Monoisotopic Mass383.18451
SMILESCC(C)=CC[C@@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2cc(O)ccc21
InChIInChI=1S/C21H25N3O4/c1-12(2)7-8-21(14-6-5-13(25)10-15(14)23-20(21)28)11-16-19(27)24-9-3-4-17(24)18(26)22-16/h5-7,10,16-17,25H,3-4,8-9,11H2,1-2H3,(H,22,26)(H,23,28)/t16-,17-,21-/m0/s1
InChIKeyVKKSVIBSKZGZJM-FIKGOQFSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (26111169)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin K (CHEBI:211675) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin K (CHEBI:211675) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin K (CHEBI:211675) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[(3S)-6-hydroxy-3-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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