| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:42 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104713 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C12H14N2O6S |
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| Molecular Mass | 314.0573 |
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| SMILES | CC(=O)NCCc1c[nH]c2c(O)cc(OS(=O)(=O)O)cc12 |
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| InChI Key | QYIHBTROMXGTGR-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupindole1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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