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CHEBI:224683 - Spirotryprostatin D

ChEBI IDCHEBI:224683
ChEBI NameSpirotryprostatin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O7
Net Charge0
Average Mass511.575
Monoisotopic Mass511.23185
SMILESCOc1ccc2c(c1)N(CC=C(C)C)C(=O)[C@]21[C@H](C=C(C)C)N2C(=O)[C@]3(O)CCCN3C(=O)[C@]2(O)[C@H]1O
InChIInChI=1S/C27H33N3O7/c1-15(2)9-12-28-19-14-17(37-5)7-8-18(19)26(23(28)33)20(13-16(3)4)30-22(32)25(35)10-6-11-29(25)24(34)27(30,36)21(26)31/h7-9,13-14,20-21,31,35-36H,6,10-12H2,1-5H3/t20-,21-,25+,26-,27+/m0/s1
InChIKeySRMXTHVXRZJIAQ-UCHDDLIBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2008.06.013)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin D (CHEBI:224683) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin D (CHEBI:224683) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin D (CHEBI:224683) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4S,5S,6S,9R)-3,4,9-trihydroxy-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
27023456ChemSpider