Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:14:27 UTC
Update Date2022-08-31 06:21:49 UTC
Metabolite IDMMDBc0004096
Metabolite Identification
Common NameAnhydrofusarubin lactol
Description1,6,9-trihydroxy-7-methoxy-3-methyl-1H,5H,10H-benzo[g]isochromene-5,10-dione belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton. Based on a literature review very few articles have been published on 1,6,9-trihydroxy-7-methoxy-3-methyl-1H,5H,10H-benzo[g]isochromene-5,10-dione.
Structure
SynonymsNot Available
Molecular FormulaC15H12O7
Average Mass304.254
Monoisotopic Mass304.058302726
IUPAC Name1,6,9-trihydroxy-7-methoxy-3-methyl-1H,5H,10H-benzo[g]isochromene-5,10-dione
Traditional Name1,6,9-trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
CAS Registry NumberNot Available
SMILES
COC1=C(O)C2=C(C(O)=C1)C(=O)C1=C(C=C(C)OC1O)C2=O
InChI Identifier
InChI=1S/C15H12O7/c1-5-3-6-9(15(20)22-5)14(19)10-7(16)4-8(21-2)13(18)11(10)12(6)17/h3-4,15-16,18,20H,1-2H3
InChI KeyMEEXUXCWEGTJLC-UHFFFAOYSA-N