EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230330 - Paeonimetabolin I

ChEBI IDCHEBI:230330
ChEBI NamePaeonimetabolin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESCC1C2OC3(C)CC(=O)C1CC3(O)O2
InChIInChI=1S/C10H14O4/c1-5-6-3-10(12)9(2,4-7(6)11)13-8(5)14-10/h5-6,8,12H,3-4H2,1-2H3
InChIKeyWXMARWINOVVAEN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Paeonimetabolin I (CHEBI:230330) is a oxacycle (CHEBI:38104)
IUPAC Name 
8-hydroxy-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one
Manual XrefsDatabases
HMDB0256079HMDB
113033ChemSpider