Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:05:00 UTC
Update Date2022-08-31 06:44:41 UTC
Metabolite IDMMDBc0018933
Metabolite Identification
Common NameAqabamycin F
DescriptionAqabamycin F 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 F is a strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H10N4O8
Average Mass386.276
Monoisotopic Mass386.049863298
IUPAC Name3,4-bis(4-hydroxy-3-nitrophenyl)-5-nitroso-1H-pyrrol-2-ol
Traditional Name3,4-bis(4-hydroxy-3-nitrophenyl)-5-nitroso-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(=C(O)C=C1)N(=O)=O
InChI Identifier
InChI=1S/C16H10N4O8/c21-11-3-1-7(5-9(11)19(25)26)13-14(16(23)17-15(13)18-24)8-2-4-12(22)10(6-8)20(27)28/h1-6,17,21-23H
InChI KeyJOXALXLPZGEBOM-UHFFFAOYSA-N