| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:54 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189704 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO5S |
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| Molecular Mass | 303.114 |
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| SMILES | CC(C)NCC(O)COc1ccc(CS(=O)(=O)O)cc1 |
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| InChI Key | NVUBYQAEEMTMBJ-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 compoundsorganosulfonic acidsphenoxy compoundssecondary alcoholssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyetherorganosulfonic acidalkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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