| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:26 UTC |
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| Update Date | 2025-03-21 18:29:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077612 |
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| Frequency | 37.8 |
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| Structure | |
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| Chemical Formula | C11H12I2N2O4 |
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| Molecular Mass | 489.8887 |
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| SMILES | NC(Cc1cc(I)c(O)c(I)c1)C(=O)NCC(=O)O |
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| InChI Key | NQFJXBHYUZNMEB-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesaryl iodidescarbonyl compoundscarboxylic acidsdipeptidesfatty amideshalophenolshydrocarbon derivativesiodobenzenesmonoalkylaminesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amidestyrosine and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amideorganohalogen compoundiodobenzenealpha peptideorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesalpha-amino acid amide2-iodophenolcarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundalpha-dipeptide2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compound |
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