| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:20 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO2S |
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| Molecular Mass | 225.0824 |
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| SMILES | COC(=O)c1ccc(NCCSC)cc1 |
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| InChI Key | SGAAOIMVOOMQMN-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesbenzoyl derivativesdialkylthioethershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessulfenyl compounds |
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| Substituents | amino acid or derivativesbenzoylbenzoate esterorganosulfur compoundcarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioethersecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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