| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:32 UTC |
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| Update Date | 2025-03-21 18:34:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101820 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C7H5NO6S |
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| Molecular Mass | 230.9838 |
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| SMILES | O=c1[nH]c2c(OS(=O)(=O)O)cccc2o1 |
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| InChI Key | PTCLNIDLZDRVJQ-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 | benzoxazoles |
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| Subclass | benzoxazolones |
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| Direct Parent | benzoxazolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundoxazolebenzoxazoloneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compoundazole |
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