| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:36 UTC |
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| Update Date | 2025-03-21 18:35:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106947 |
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| Frequency | 37.6 |
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| Structure | |
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| Chemical Formula | C8H8N2O5S |
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| Molecular Mass | 244.0154 |
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| SMILES | COc1cc2[nH]cnc2cc1OS(=O)(=O)O |
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| InChI Key | JCOCQBHWTXWSOI-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 | alkyl aryl ethersanisolesazacyclic compoundsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretheralkyl aryl etherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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