Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 21:02:17 UTC
Update Date2022-08-31 06:19:49 UTC
Metabolite IDMMDBc0002800
Metabolite Identification
Common NameDecarestrictine A1
Description7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. 7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
Decarestrictine aMeSH
Molecular FormulaC10H14O4
Average Mass198.218
Monoisotopic Mass198.089208931
IUPAC Name7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
Traditional Name7-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
CAS Registry NumberNot Available
SMILES
CC1CC2OC2C=CC(O)CC(=O)O1
InChI Identifier
InChI=1S/C10H14O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3
InChI KeyJCWPVPJYCLLPQL-UHFFFAOYSA-N