CHEBI:230330 - Paeonimetabolin I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Paeonimetabolin I
ChEBI ID CHEBI:230330
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H14O4
Net Charge 0
Average Mass 198.218
Monoisotopic Mass 198.08921
InChI InChI=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
InChIKey WXMARWINOVVAEN-UHFFFAOYSA-N
SMILES O1C2(C3(OC1C(C(C3)C(=O)C2)C)O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
113033 ChemSpider
HMDB0256079 HMDB
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