Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:57:17 UTC
Update Date2022-08-31 06:23:41 UTC
Metabolite IDMMDBc0005321
Metabolite Identification
Common NameYicathin C
DescriptionYicathin C belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Yicathin C is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H12O6
Average Mass300.266
Monoisotopic Mass300.063388106
IUPAC Name8-hydroxy-1-methoxy-6-methyl-9-oxo-9H-xanthene-3-carboxylic acid
Traditional Name8-hydroxy-1-methoxy-6-methyl-9-oxoxanthene-3-carboxylic acid
CAS Registry NumberNot Available
SMILES
COC1=C2C(=O)C3=C(O)C=C(C)C=C3OC2=CC(=C1)C(O)=O
InChI Identifier
InChI=1S/C16H12O6/c1-7-3-9(17)13-11(4-7)22-12-6-8(16(19)20)5-10(21-2)14(12)15(13)18/h3-6,17H,1-2H3,(H,19,20)
InChI KeyCDOFUOUENPZVAF-UHFFFAOYSA-N