| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:17 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO9S |
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| Molecular Mass | 313.0468 |
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| SMILES | CC(=O)NC1C(C(=O)O)OC(CS(=O)(=O)O)C(O)C1O |
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| InChI Key | QPMNIGIJVNBHAM-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupethercarboxylic acidorganosulfonic acidmonosaccharideorganosulfur compoundcarboxylic acid derivativedialkyl ethersaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneacetamide1,2-diolalcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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