| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:56 UTC |
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| Update Date | 2025-03-25 00:48:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166927 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO5S |
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| Molecular Mass | 289.0984 |
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| SMILES | CC(C)(C)NCC(O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | XAHGCNZCFIHUCK-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 | aromatic alcoholsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietysulfuric acid monoestersecondary aminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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