| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:35 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO8S |
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| Molecular Mass | 317.0205 |
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| SMILES | O=C(O)C1=CC(SCC(C(=O)O)C(=O)O)C=C(C(=O)O)N1 |
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| InChI Key | KGJFKUFLOJKKTC-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsamino acidsazacyclic compoundscarboxylic acidsdialkylaminesdialkylthioethersdihydropyridineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydropyridineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethertetracarboxylic acid or derivativessecondary amineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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