| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:06 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 | DMID02208366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO6S |
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| Molecular Mass | 303.0777 |
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| SMILES | CC(C)NCCC(=O)c1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | OQNJLHQZGORDBG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzoyl derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatesecondary aliphatic amineorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteralkyl-phenylketoneamine |
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