DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:19 UTC
Update Date	2025-03-25 00:56:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220610
Frequency	0.5
Structure
Chemical Formula	C₁₁H₇NO₅
Molecular Mass	233.0324
SMILES	O=C(O)c1cc([N+](=O)[O-])c2cccc(O)c2c1
InChI Key	RYCJSLXZXXVOLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	nitronaphthalenes
Direct Parent	nitronaphthalenes
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives naphthalenecarboxylic acids naphthols and derivatives nitroaromatic compounds nitrobenzoic acids and derivatives organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organooxygen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carboxylic acid allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound organopnictogen compound organic oxoazanium nitroaromatic compound aromatic homopolycyclic compound organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid monocarboxylic acid or derivatives 1-nitronaphthalene organic oxygen compound 2-naphthalenecarboxylic acid or derivatives hydrocarbon derivative 1-naphthol organic nitrogen compound nitrobenzoate 2-naphthalenecarboxylic acid organooxygen compound organic hyponitrite

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