Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:42:07 UTC
Update Date2022-08-31 06:43:58 UTC
Metabolite IDMMDBc0018530
Metabolite Identification
Common NameBezerramycin B
Description2-[(1-hydroxyethylidene)amino]-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring. 2-[(1-hydroxyethylidene)amino]-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
2-[(1-Hydroxyethylidene)amino]-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylateGenerator
Molecular FormulaC16H12N2O6
Average Mass328.28
Monoisotopic Mass328.069536114
IUPAC Name2-acetamido-8-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid
Traditional Name2-acetamido-8-(hydroxymethyl)-3-oxophenoxazine-1-carboxylic acid
CAS Registry NumberNot Available
SMILES
CC(=O)NC1=C(C(O)=O)C2=NC3=CC(CO)=CC=C3OC2=CC1=O
InChI Identifier
InChI=1S/C16H12N2O6/c1-7(20)17-14-10(21)5-12-15(13(14)16(22)23)18-9-4-8(6-19)2-3-11(9)24-12/h2-5,19H,6H2,1H3,(H,17,20)(H,22,23)
InChI KeyPVALJFNMUZXLJQ-UHFFFAOYSA-N