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CHEBI:206335 - Spirotryprostatin C

ChEBI IDCHEBI:206335
ChEBI NameSpirotryprostatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O6
Net Charge0
Average Mass495.576
Monoisotopic Mass495.23694
SMILESCOc1ccc2c(c1)N(CC=C(C)C)C(=O)[C@]21[C@H](C=C(C)C)N2C(=O)[C@@H]3CCCN3C(=O)[C@]2(O)[C@H]1O
InChIInChI=1S/C27H33N3O6/c1-15(2)10-12-29-20-14-17(36-5)8-9-18(20)26(24(29)33)21(13-16(3)4)30-22(31)19-7-6-11-28(19)25(34)27(30,35)23(26)32/h8-10,13-14,19,21,23,32,35H,6-7,11-12H2,1-5H3/t19-,21-,23-,26-,27+/m0/s1
InChIKeyYPSDDVCGIHETLQ-AMOYZJMOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2008.06.013)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin C (CHEBI:206335) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin C (CHEBI:206335) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin C (CHEBI:206335) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4S,5S,6S,9S)-3,4-dihydroxy-6'-methoxy-1'-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indole]-2,2',8-trione
Manual XrefsDatabases
27023455ChemSpider