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CHEBI:215475 - Spirotryprostatin M

ChEBI IDCHEBI:215475
ChEBI NameSpirotryprostatin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H35N3O7
Net Charge0
Average Mass513.591
Monoisotopic Mass513.24750
SMILESCOc1ccc2c(c1)N[C@@]1(C2=O)[C@H](CC(C)(C)O)N2C(=O)[C@@H]3CCCN3C(=O)[C@]2(O)[C@H]1OCC=C(C)C
InChIInChI=1S/C27H35N3O7/c1-15(2)10-12-37-23-26(21(31)17-9-8-16(36-5)13-18(17)28-26)20(14-25(3,4)34)30-22(32)19-7-6-11-29(19)24(33)27(23,30)35/h8-10,13,19-20,23,28,34-35H,6-7,11-12,14H2,1-5H3/t19-,20-,23-,26+,27+/m0/s1
InChIKeyLUFNRQGQLDZSAO-CVXVVRTLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (32315839)
ChEBI Ontology
Outgoing Relation(s)
Spirotryprostatin M (CHEBI:215475) has functional parent α-amino acid (CHEBI:33704)
Spirotryprostatin M (CHEBI:215475) is a organonitrogen compound (CHEBI:35352)
Spirotryprostatin M (CHEBI:215475) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4S,5S,6S,9S)-3-hydroxy-6-(2-hydroxy-2-methylpropyl)-6'-methoxy-4-(3-methylbut-2-enoxy)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione