DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:29 UTC
Update Date	2025-03-25 00:56:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220972
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₁NO₅
Molecular Mass	273.0637
SMILES	O=C(O)c1ccccc1COc1ccc([N+](=O)[O-])cc1
InChI Key	LGZSIOVXQWRJRL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	nitrobenzenes
Direct Parent	nitrophenyl ethers
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alkyl aryl ethers benzoic acids benzoyl derivatives hydrocarbon derivatives monocarboxylic acids and derivatives nitroaromatic compounds organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds propargyl-type 1,3-dipolar organic compounds
Substituents	phenol ether ether carboxylic acid allyl-type 1,3-dipolar organic compound benzoyl alkyl aryl ether carboxylic acid derivative organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound organic oxoazanium benzoic acid nitroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives nitrophenyl ether organic oxygen compound hydrocarbon derivative organic nitrogen compound phenoxy compound organooxygen compound organic hyponitrite

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