DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:49:18 UTC
Update Date	2025-03-25 00:49:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176909
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₀N₂O₇
Molecular Mass	282.0488
SMILES	O=C(O)CNC(=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
InChI Key	AUAGUGGMWHENKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	hydroxycinnamic acids and derivatives
Direct Parent	hydroxycinnamic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino acids carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium nitrophenol nitrobenzene nitroaromatic compound secondary aliphatic amine organic 1,3-dipolar compound secondary amine hydroxycinnamic acid aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine organic hyponitrite

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