| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:55 UTC |
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| Update Date | 2025-03-25 00:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182862 |
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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=c1[nH]c2ccc3ccc(OS(=O)(=O)O)cc3c2[nH]1 |
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| InChI Key | UWVPYVZGYWJFOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxidenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazole |
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