| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:54 UTC |
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| Update Date | 2025-03-21 18:04:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047934 |
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| Frequency | 69.3 |
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| Structure | |
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| Chemical Formula | C12H15NO3S |
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| Molecular Mass | 253.0773 |
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| SMILES | Cc1cccc(C)c1NC(=O)CSCC(=O)O |
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| InChI Key | QPCJCZZVHHYVOK-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsm-xylenes |
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| Substituents | carbonyl groupcarboxylic acidn-arylamideorganosulfur compoundcarboxylic acid derivativexyleneorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioetherm-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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