| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:29 UTC |
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| Update Date | 2025-03-21 18:00:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030095 |
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| Frequency | 123.7 |
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| Structure | |
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| Chemical Formula | C12H18NO4+ |
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| Molecular Mass | 240.123 |
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| SMILES | Cc1cc[n+](C2OC(CO)C(O)C2O)cc1C |
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| InChI Key | GDYGCHWHFYLZQM-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycletetrahydrofuranpolyhalopyridineheteroaromatic compoundhydroxypyridinemonosaccharideoxacyclesaccharideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound |
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