| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:28 UTC |
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| Update Date | 2025-03-21 18:39:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125754 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O4S |
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| Molecular Mass | 244.0518 |
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| SMILES | Nc1ccccc1C(=O)NCCS(=O)(=O)O |
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| InChI Key | UDMZTFITAROHNO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsprimary aminessecondary carboxylic acid amidessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativesamino acid or derivativesorganosulfonic acidbenzoylorganosulfur compoundcarboxylic acid derivativebenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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