| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:40 UTC |
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| Update Date | 2025-03-21 18:40:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131070 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C8H11NO5S |
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| Molecular Mass | 233.0358 |
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| SMILES | CNc1ccc(OS(=O)(=O)O)cc1OC |
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| InChI Key | WMBDWBYZBSGQLT-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 oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheralkyl aryl etherphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundsecondary aminemethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundanisolephenylalkylaminesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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