| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:01 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO5S |
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| Molecular Mass | 290.9968 |
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| SMILES | O=C(O)CN(CC(=O)O)S(=O)c1ccccc1Cl |
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| InChI Key | DXRIZPAQKLWXRW-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 homomonocyclic compounds |
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| Alternative Parents | aminosulfinyl compoundsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssulfinic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloridesulfinic acid derivativeorganosulfur compoundorganohalogen compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundaminosulfinyl compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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