| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:12 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO5S |
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| Molecular Mass | 271.0514 |
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| SMILES | CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCO2 |
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| InChI Key | UBQLULWDVRQVNL-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 heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsbenzenoidscarbonyl compoundscarboxylic acidscoumaranshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compounds |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidalkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundcoumaranaminosulfonyl compoundoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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