| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:24 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO6S |
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| Molecular Mass | 291.0777 |
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| SMILES | NCC(O)C(CO)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | OCTBYTJKMCANMM-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatesprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundphenylsulfateorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound |
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