| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:26 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106523 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C7H5NO5S |
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| Molecular Mass | 214.9888 |
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| SMILES | O=S(=O)(O)Oc1nc2ccccc2o1 |
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| InChI Key | WLLXIGHULFXMPI-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 | azacyclic compoundsbenzenoidsbenzoxazolesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacyclebenzoxazoleheteroaromatic compoundoxazoleoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazole |
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