| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:26 UTC |
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| Update Date | 2025-03-21 18:37:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113810 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C8H9NO6S |
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| Molecular Mass | 247.0151 |
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| SMILES | COC(=O)Nc1ccccc1OS(=O)(=O)O |
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| InChI Key | BPXSIIHCMKTPEW-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 | phenylcarbamic acid esters |
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| Direct Parent | phenylcarbamic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganic sulfuric acid or derivativescarbamic acid esteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatephenylcarbamic acid esterorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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