| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:36 UTC |
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| Update Date | 2025-03-21 18:39:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123705 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C10H13NO4S |
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| Molecular Mass | 243.0565 |
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| SMILES | CC(=O)NCCSCc1ccc(C(=O)O)o1 |
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| InChI Key | DRJRVBUVPFVZHX-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidesulfenyl compounddialkylthioetherheteroaromatic compoundcarboxamide groupfuroic acidoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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