| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:57 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155736 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4S |
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| Molecular Mass | 216.0205 |
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| SMILES | CSc1ncc(C(=O)O)n1CC(=O)O |
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| InChI Key | ZSXOKLHEEJWDMW-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,5-trisubstituted imidazolesalkylarylthioethersazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolesulfenyl compoundazacycleheteroaromatic compoundorganic oxygen compoundthioether1,2,5-trisubstituted-imidazoletrisubstituted imidazoledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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