| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:37 UTC |
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| Update Date | 2025-03-21 18:37:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116686 |
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| Frequency | 22.5 |
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| Structure | |
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| Chemical Formula | C7H9NO8S2 |
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| Molecular Mass | 298.977 |
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| SMILES | COc1cc(OS(=O)(=O)O)ccc1NS(=O)(=O)O |
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| InChI Key | HALHFYRGHCUKQR-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 | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfanilidessulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundmethoxybenzenearomatic homomonocyclic compoundsulfanilideorganic oxygen compoundanisolesulfuric acid monoamidesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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