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CHEBI:225513 - Pyripyropene N

ChEBI IDCHEBI:225513
ChEBI NamePyripyropene N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H39NO8
Net Charge0
Average Mass553.652
Monoisotopic Mass553.26757
SMILESCCC(=O)OC[C@@]1(C)[C@@H]2CC[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)CC
InChIInChI=1S/C31H39NO8/c1-6-23(33)37-17-30(4)21-10-13-31(5)27(29(21,3)12-11-22(30)39-24(34)7-2)26(35)25-20(40-31)15-19(38-28(25)36)18-9-8-14-32-16-18/h8-9,14-16,21-22,26-27,35H,6-7,10-13,17H2,1-5H3/t21-,22+,26+,27-,29+,30+,31-/m1/s1
InChIKeyJXQHKJNUBWQYRK-VDRJQMDKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (8626247)
ChEBI Ontology
Outgoing Relation(s)
Pyripyropene N (CHEBI:225513) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
[(1S,2S,5S,6R,7R,10R,18R)-18-hydroxy-2,6,10-trimethyl-16-oxo-5-propanoyloxy-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl propanoate
Manual XrefsDatabases
8778180ChemSpider