| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:02 UTC |
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| Update Date | 2025-03-21 18:33:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098152 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C8H6N2O5S |
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| Molecular Mass | 241.9997 |
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| SMILES | O=C(OS(=O)(=O)O)c1c[nH]c2ncccc12 |
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| InChI Key | UHHXXZYVFRSIPZ-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 | pyrrolopyridines |
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| Subclass | pyrrolopyridines |
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| Direct Parent | pyrrolopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrrole carboxylic acids and derivativessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterpyrrole-3-carboxylic acid or derivativespolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideorganic sulfuric acid or derivativesazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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