| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:04 UTC |
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| Update Date | 2025-03-25 00:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224608 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O4S |
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| Molecular Mass | 240.0205 |
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| SMILES | NS(=O)(=O)Oc1ccc2cc[nH]c(=O)c2c1 |
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| InChI Key | HKSZXZNNYSJTNG-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinones |
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| Substituents | lactamorganic sulfuric acid or derivativesazacyclepolyhalopyridineheteroaromatic compoundorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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