| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:05 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233473 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO5S |
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| Molecular Mass | 349.0984 |
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| SMILES | C=CC1=C(C)C(=CC2=C(C)S(=O)(=O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | GXYNKZFDEVPZHL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiophenes |
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| Subclass | thiophene sulfoxides |
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| Direct Parent | thiophene sulfoxides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidessulfones |
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| Substituents | carbonyl grouplactamcarboxylic acidazacyclecarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundthiophene sulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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