| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:23 UTC |
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| Update Date | 2025-03-25 00:59:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2S |
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| Molecular Mass | 251.098 |
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| SMILES | CSCCC(NC=O)C(=O)Cc1ccccc1 |
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| InChI Key | QUBMVEHQLPHRLI-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativesdialkylthioethershydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativeketonearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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