| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:09 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252030 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8N2O5S |
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| Molecular Mass | 280.0154 |
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| SMILES | O=S(=O)(O)Oc1cc2[nH]c3cnccc3c2cc1O |
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| InChI Key | NPUJVVVPOLJPKQ-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 | beta carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsarylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterindolepolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundpyrrolesulfate-esterbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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