| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:11 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | CS(=O)(=O)Oc1cccc(C(N)=O)c1 |
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| InChI Key | TXHQPLBLLQCOQZ-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 | benzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesmethanesulfonatesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundsprimary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | primary carboxylic acid amideorganosulfonic acid or derivativesbenzoylorganosulfur compoundcarboxylic acid derivativebenzamidesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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