EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214380 - Pyripyropene Q

ChEBI IDCHEBI:214380
ChEBI NamePyripyropene Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO8
Net Charge0
Average Mass539.625
Monoisotopic Mass539.25192
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(C)=O
InChIInChI=1S/C30H37NO8/c1-6-23(33)36-16-29(4)21-9-12-30(5)26(28(21,3)11-10-22(29)37-17(2)32)25(34)24-20(39-30)14-19(38-27(24)35)18-8-7-13-31-15-18/h7-8,13-15,21-22,25-26,34H,6,9-12,16H2,1-5H3/t21-,22+,25+,26-,28+,29+,30-/m1/s1
InChIKeyLEDIGZYYICRNSS-JFNWYRHFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (8626247)
ChEBI Ontology
Outgoing Relation(s)
Pyripyropene Q (CHEBI:214380) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
[(1S,2S,5S,6R,7R,10R,18R)-5-acetyloxy-18-hydroxy-2,6,10-trimethyl-16-oxo-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
9975243ChemSpider