| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:08 UTC |
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| Update Date | 2025-03-21 18:05:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057753 |
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| Frequency | 54.9 |
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| Structure | |
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| Chemical Formula | C11H16N2O8S |
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| Molecular Mass | 336.0627 |
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| SMILES | NC(=O)C1=CN(C2OC(COS(=O)(=O)O)C(O)C2O)C=CC1 |
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| InChI Key | ZANWIBWBNTXZIK-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidesulfuric acid monoestercarbonyl groupmonosaccharidecarboxylic acid derivativesaccharideorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridine1,2-diolalcoholvinylogous amideorganic sulfuric acid or derivativesazacycletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundenamine |
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