| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:09 UTC |
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| Update Date | 2025-03-25 00:50:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183371 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | O=C1C(OS(=O)(=O)O)c2ccccc2CN1O |
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| InChI Key | UDVBPHCKPPISSC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesterstetrahydroisoquinolines |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesazacyclecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundisoquinolonesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundhydroxamic acidsulfuric acid esterorganooxygen compound |
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