| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:45 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107306 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C13H19N3O4S |
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| Molecular Mass | 313.1096 |
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| SMILES | COC1NS(=O)(=O)c2ccccc2N(CCN(C)C)C1=O |
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| InChI Key | UUPLBAOWJMNPDM-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsorganosulfonamidestertiary carboxylic acid amidestrialkylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl grouplactamorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminecarboxamide grouporganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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