Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:58:00 UTC
Update Date2022-08-31 06:27:58 UTC
Metabolite IDMMDBc0007982
Metabolite Identification
Common NameTerrephenol B
DescriptionTerrephenol B belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Based on a literature review a significant number of articles have been published on Terrephenol B.
Structure
SynonymsNot Available
Molecular FormulaC25H26O8
Average Mass454.475
Monoisotopic Mass454.162767797
IUPAC Namemethyl (2R)-4-hydroxy-2-{[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxo-2,5-dihydrofuran-2-carboxylate
Traditional Namemethyl (2R)-4-hydroxy-2-{[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
CAS Registry NumberNot Available
SMILES
COC(=O)[C@]1(CC2=C(O)C(CC=C(C)C)=C(OC)C=C2)OC(=O)C(O)=C1C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C25H26O8/c1-14(2)5-11-18-19(31-3)12-8-16(21(18)27)13-25(24(30)32-4)20(22(28)23(29)33-25)15-6-9-17(26)10-7-15/h5-10,12,26-28H,11,13H2,1-4H3/t25-/m1/s1
InChI KeyQXXJLFJADXECGI-RUZDIDTESA-N