| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:18 UTC |
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| Update Date | 2025-03-25 00:55:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3S |
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| Molecular Mass | 215.0616 |
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| SMILES | CC(=O)NC1CC=C(C(=O)O)CSC1 |
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| InChI Key | KLXVJSKMYKNQIB-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 | carboxylic acid derivatives |
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| Direct Parent | acetamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compoundsorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioethersecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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