| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:43 UTC |
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| Update Date | 2025-03-21 17:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021375 |
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| Frequency | 187.4 |
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| Structure | |
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| Chemical Formula | C12H16NO5+ |
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| Molecular Mass | 254.1023 |
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| SMILES | CC(=O)c1ccc[n+](C2OC(CO)C(O)C2O)c1 |
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| InChI Key | YFLLEDOXFRAPQI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridinesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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