| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:07 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240350 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O7S2 |
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| Molecular Mass | 364.0399 |
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| SMILES | NC(CSS(=O)(=O)Oc1ccc(CC(N)C(=O)O)cc1)C(=O)O |
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| InChI Key | TXHOXIJKKPZJOP-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidss-alkyl thiosulfatessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessulfenyl compounds-alkyl thiosulfatearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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