Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 03:22:15 UTC
Update Date2022-08-31 06:33:11 UTC
Metabolite IDMMDBc0011527
Metabolite Identification
Common NamePhomaligadione A
DescriptionPhomaligadione A belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively. Based on a literature review very few articles have been published on Phomaligadione A.
Structure
SynonymsNot Available
Molecular FormulaC14H20O5
Average Mass268.309
Monoisotopic Mass268.131073744
IUPAC Name(1R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
Traditional Name(1R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
CAS Registry NumberNot Available
SMILES
[H]C(C)(CC)C(=O)O[C@]1(C)C(=O)C=C(OC)C([H])(C)C1=O
InChI Identifier
InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-9H,6H2,1-5H3/t8?,9?,14-/m1/s1
InChI KeyWDHSIBDVOVMUBZ-OAQUUNCKSA-N