Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:14:05 UTC
Update Date2022-08-31 06:44:54 UTC
Metabolite IDMMDBc0019114
Metabolite Identification
Common NameGlobosumone B
Descriptionglobosumone B belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. globosumone B is an extremely weak basic (essentially neutral) compound (based on its pKa). Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
Structure
SynonymsNot Available
Molecular FormulaC13H16O6
Average Mass268.265
Monoisotopic Mass268.094688235
IUPAC Name(4S)-4-hydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate
Traditional Name(4S)-4-hydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(O)CC(=O)COC(=O)C1=C(O)C=C(O)C=C1C
InChI Identifier
InChI=1S/C13H16O6/c1-7-3-9(15)5-11(17)12(7)13(18)19-6-10(16)4-8(2)14/h3,5,8,14-15,17H,4,6H2,1-2H3/t8-/m0/s1
InChI KeyXPROBYNUZWGFGY-QMMMGPOBSA-N