| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:49 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205385 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9IN2O4 |
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| Molecular Mass | 335.9607 |
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| SMILES | NC(Cc1ccc(I)c([N+](=O)[O-])c1)C(=O)O |
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| InChI Key | IOMZUZBNDLKZOW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compoundorganohalogen compoundiodobenzeneorganic nitro compoundorganoiodidepropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumamphetamine or derivativesnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundorganic hyponitrite |
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