| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157313 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO7S |
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| Molecular Mass | 258.9787 |
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| SMILES | O=C1Nc2ccc(O)c(OS(=O)(=O)O)c2C1=O |
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| InChI Key | AKEGAVLQPDCMOR-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesindolesindolineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatedihydroindoleorganoheterocyclic compoundvinylogous amideazacycleindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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