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CHEBI:207445 - Pyripyropene S

Default Structure
ChEBI IDCHEBI:207445
ChEBI NamePyripyropene S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H35NO9
Net Charge0
Average Mass565.619
Monoisotopic Mass565.23118
SMILESCC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)C3=Cc4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@@H]12
InChIInChI=1S/C31H35NO9/c1-17(33)37-16-30(5)24-14-27(39-19(3)35)31(6)25(29(24,4)10-9-26(30)38-18(2)34)12-21-23(41-31)13-22(40-28(21)36)20-8-7-11-32-15-20/h7-8,11-13,15,24,26-27H,9-10,14,16H2,1-6H3/t24-,26+,27+,29+,30+,31+/m1/s1
InChIKeyCAIGEWOTKYYEDS-ZRPODQDASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25317534)
ChEBI Ontology
Outgoing Relation(s)
Pyripyropene S (CHEBI:207445) is a steroid (CHEBI:35341)
IUPAC Name 
[(2S,5S,6R,7R,9S,10S)-5,9-diacetyloxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-trien-6-yl]methyl acetate
Manual XrefsDatabases
8754261ChemSpider