| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:56 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO10S |
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| Molecular Mass | 391.0573 |
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| SMILES | CC(=O)NC1C(O)CC(C(=O)O)OC1Oc1ccccc1OS(=O)(=O)O |
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| InChI Key | HEGBCQPAYLNFDC-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 | acetalsacetamidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativepyran carboxylic acidphenylsulfateorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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