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CHEBI:210682 - Spirotryprostatin B

ChEBI IDCHEBI:210682
ChEBI NameSpirotryprostatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21N3O3
Net Charge0
Average Mass363.417
Monoisotopic Mass363.15829
SMILESCC(C)=C[C@@H]1N2C(=O)[C@@H]3CCCN3C(=O)C2=C[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C21H21N3O3/c1-12(2)10-17-21(13-6-3-4-7-14(13)22-20(21)27)11-16-18(25)23-9-5-8-15(23)19(26)24(16)17/h3-4,6-7,10-11,15,17H,5,8-9H2,1-2H3,(H,22,27)/t15-,17-,21-/m0/s1
InChIKeyIWUYVKKHPNFWJG-WJPUGNRLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (8823522)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin B (CHEBI:210682) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin B (CHEBI:210682) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin B (CHEBI:210682) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(5S,6S,9S)-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodec-3-ene-5,3'-1H-indole]-2,2',8-trione
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8104599ChemSpider