| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:00 UTC |
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| Update Date | 2025-03-25 01:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253900 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23NO4S |
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| Molecular Mass | 301.1348 |
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| SMILES | CC(C)NCC(O)COc1ccc(CS(C)(=O)=O)cc1 |
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| InChI Key | VXDBGRIWYQPUAM-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 ethersdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfones |
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| Substituents | alcoholphenol ethersecondary aliphatic aminemonocyclic benzene moietyetheralkyl aryl ethersecondary amineorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundaminesulfone |
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