| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO4S |
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| Molecular Mass | 299.1191 |
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| SMILES | CC(C)NCC(O)COc1ccc(SCC(=O)O)cc1 |
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| InChI Key | ATCDDPHTZPJKQB-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioethersamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalkyl aryl etheralkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesulfenyl compoundsecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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