| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:10 UTC |
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| Update Date | 2025-03-21 17:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020138 |
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| Frequency | 201.8 |
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| Structure | |
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| Chemical Formula | C7H6N2O4S |
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| Molecular Mass | 214.0048 |
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| SMILES | O=S(=O)(O)Oc1ccc2cc[nH]c2n1 |
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| InChI Key | VHPBWOKCIKCPBB-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrrolespyrrolopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacyclepyrrolopyridinepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfate2-halopyridineorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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