| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:20 UTC |
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| Update Date | 2025-03-25 00:49:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO5S |
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| Molecular Mass | 301.0984 |
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| SMILES | CCCCC(O)=NCCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | CHGXOFHJSNWRGZ-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 | carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | carboximidic acidmonocyclic benzene moietysulfuric acid monoesterorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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