| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:34 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O3S |
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| Molecular Mass | 200.0256 |
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| SMILES | NC(CC(=O)c1nccs1)C(=O)O |
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| InChI Key | WRLBDWRFFPZGIS-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolecarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundthiazolecarboxylic acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compoundaryl ketone |
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