| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:48 UTC |
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| Update Date | 2025-03-21 18:35:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107438 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C12H19NO6S |
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| Molecular Mass | 305.0933 |
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| SMILES | CC(C)NCC(O)COc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | NYJMEZFWMQVWFI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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