| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:15 UTC |
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| Update Date | 2025-03-21 18:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098664 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C13H18NO7+ |
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| Molecular Mass | 300.1078 |
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| SMILES | O=C(O)Cc1ccc[n+](C2OC(CO)C(O)C(O)C2O)c1 |
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| InChI Key | PAXVWYWXAKEKJD-UHFFFAOYSA-O |
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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 | hydroxypyridines |
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| Direct Parent | hydroxypyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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