| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:33 UTC |
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| Update Date | 2025-03-25 00:51:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9IN2O3 |
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| Molecular Mass | 319.9658 |
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| SMILES | Nc1ccc(C(=O)NCC(=O)O)cc1I |
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| InChI Key | VRBZUXQOCRMPBW-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 | 3-halobenzoic acids and derivativesalpha amino acidsamino acidsaryl iodidesbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid3-halobenzoic acid or derivativesbenzoylorganohalogen compoundiodobenzenebenzamideorganoiodideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidaryl iodideprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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