| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:06 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO2S |
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| Molecular Mass | 207.0354 |
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| SMILES | CS(=O)(=O)c1nccc2ccccc12 |
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| InChI Key | VSYAIJANWKDHIV-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 | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfones |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridineorganosulfur compoundorganic oxidesulfonylpyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundsulfone |
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