Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:34:22 UTC
Update Date2022-08-31 06:17:54 UTC
Metabolite IDMMDBc0001298
Metabolite Identification
Common NameIsobutyrolactone II
DescriptionIsobutyrolactone II belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. Based on a literature review a significant number of articles have been published on Isobutyrolactone II.
Structure
SynonymsNot Available
Molecular FormulaC18H16O6
Average Mass328.32
Monoisotopic Mass328.094688235
IUPAC Name(5R)-3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxy-2,5-dihydrofuran-2-one
Traditional Name(5R)-3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxyfuran-2-one
CAS Registry NumberNot Available
SMILES
CO[C@]1(CC2=CC=C(O)C=C2)OC(=O)C(O)=C1C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C18H16O6/c1-23-18(10-11-2-6-13(19)7-3-11)15(16(21)17(22)24-18)12-4-8-14(20)9-5-12/h2-9,19-21H,10H2,1H3/t18-/m1/s1
InChI KeyNIRMZWVJIJSJIF-GOSISDBHSA-N