DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:10 UTC
Update Date	2025-03-21 18:30:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081804
Frequency	35.4
Structure
Chemical Formula	C₁₀H₁₀INO₅
Molecular Mass	350.9604
SMILES	NC(Cc1cc(I)c(O)c(C(=O)O)c1)C(=O)O
InChI Key	QIYFBOBYEOACBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 3-halobenzoic acids alpha amino acids amphetamines and derivatives aryl iodides benzoic acids benzoyl derivatives carbonyl compounds dicarboxylic acids and derivatives halobenzoic acids halophenols hydrocarbon derivatives iodobenzenes monoalkylamines o-iodophenols organic oxides organoiodides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids salicylic acids vinylogous acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 3-halobenzoic acid or derivatives benzoyl salicylic acid organohalogen compound iodobenzene organoiodide organic oxide 3-halobenzoic acid organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid amphetamine or derivatives halobenzoic acid tyrosine or derivatives 2-iodophenol benzoic acid or derivatives halobenzoic acid or derivatives aryl halide hydroxybenzoic acid aromatic homomonocyclic compound 2-halophenol vinylogous acid phenylalanine or derivatives organic oxygen compound salicylic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine aryl iodide organic nitrogen compound halobenzene organooxygen compound

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