| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:34 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O6S |
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| Molecular Mass | 342.0886 |
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| SMILES | CC(C)C(N)C1=NC(Cc2cccc(OS(=O)(=O)O)c2)C(=O)O1 |
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| InChI Key | FHVAAQGUVCIYEY-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolinesphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundoxacycleoxazolinemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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