Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:44:38 UTC
Update Date2022-08-31 06:25:45 UTC
Metabolite IDMMDBc0006623
Metabolite Identification
Common NameVersicolactone D
DescriptionCHEMBL4580975 belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Based on a literature review very few articles have been published on CHEMBL4580975.
Structure
Synonyms
ValueSource
Methyl (2R)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylic acidGenerator
Molecular FormulaC25H26O7
Average Mass438.476
Monoisotopic Mass438.167853177
IUPAC Namemethyl (2R)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylate
Traditional Namemethyl (2R)-4-hydroxy-2-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-methoxyphenyl)-5-oxofuran-2-carboxylate
CAS Registry NumberNot Available
SMILES
COC(=O)[C@]1(CC2=CC(CC=C(C)C)=C(O)C=C2)OC(=O)C(O)=C1C1=CC=C(OC)C=C1
InChI Identifier
InChI=1S/C25H26O7/c1-15(2)5-7-18-13-16(6-12-20(18)26)14-25(24(29)31-4)21(22(27)23(28)32-25)17-8-10-19(30-3)11-9-17/h5-6,8-13,26-27H,7,14H2,1-4H3/t25-/m1/s1
InChI KeyNOSZCJQZUYDKAW-RUZDIDTESA-N