CHEBI:215475 - Spirotryprostatin M

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spirotryprostatin M
ChEBI ID CHEBI:215475
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H35N3O7
Net Charge 0
Average Mass 513.591
Monoisotopic Mass 513.24750
InChI InChI=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
InChIKey LUFNRQGQLDZSAO-CVXVVRTLSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](OCC=C(C)C)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3CC(O)(C)C)CCC2
Metabolite of Species Details
Aspergillus fischeri (NCBI:txid36630) See: PubMed
ChEBI Ontology
Outgoing 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