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CHEBI:197725 - Spirotryprostatin A

ChEBI IDCHEBI:197725
ChEBI NameSpirotryprostatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O4
Net Charge0
Average Mass395.459
Monoisotopic Mass395.18451
SMILESCOc1ccc2c(c1)NC(=O)[C@@]21C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C
InChIInChI=1S/C22H25N3O4/c1-12(2)9-18-22(14-7-6-13(29-3)10-15(14)23-21(22)28)11-17-19(26)24-8-4-5-16(24)20(27)25(17)18/h6-7,9-10,16-18H,4-5,8,11H2,1-3H3,(H,23,28)/t16-,17-,18-,22-/m0/s1
InChIKeyMQJKGSIAJNXSCM-ORGXJRBJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/0040-4020(96)00737-5)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin A (CHEBI:197725) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin A (CHEBI:197725) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin A (CHEBI:197725) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,5S,6S,9S)-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione
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