| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:15 UTC |
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| Update Date | 2025-03-21 18:41:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132398 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C11H8N2O4S |
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| Molecular Mass | 264.0205 |
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| SMILES | O=S(=O)(O)Oc1ccc2c(n1)[nH]c1ccccc12 |
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| InChI Key | LLWDGSZMDFAXNK-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 | indoles and derivatives |
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| Subclass | pyridoindoles |
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| Direct Parent | alpha carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrrolespyrrolopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterindolepolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganic sulfuric acid or derivativesazacyclepyrrolopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativealpha-carbolinebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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