Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:06:35 UTC
Update Date2022-08-31 06:17:08 UTC
Metabolite IDMMDBc0000843
Metabolite Identification
Common NameAqabamycin E2
DescriptionAqabamycin E2 belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Aqabamycin E2 is a strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H11N3O5
Average Mass325.28
Monoisotopic Mass325.069870466
IUPAC Name4-(4-hydroxy-3-nitrophenyl)-5-nitroso-3-phenyl-1H-pyrrol-2-ol
Traditional Name4-(4-hydroxy-3-nitrophenyl)-5-nitroso-3-phenyl-1H-pyrrol-2-ol
CAS Registry NumberNot Available
SMILES
OC1=C(C(=C(N1)N=O)C1=CC(=C(O)C=C1)N(=O)=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C16H11N3O5/c20-12-7-6-10(8-11(12)19(23)24)13-14(9-4-2-1-3-5-9)16(21)17-15(13)18-22/h1-8,17,20-21H
InChI KeyNMMDNCZQLOFGES-UHFFFAOYSA-N