| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186768 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O5 |
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| Molecular Mass | 270.1216 |
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| SMILES | OCC1OC(O)(CNCc2ccccn2)C(O)C1O |
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| InChI Key | MFSZTDXJGLZKTB-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 | 2-halopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkylamineshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundmonosaccharidesaccharideorganonitrogen compoundorganopnictogen compoundhemiacetal2-halopyridineprimary alcoholalcoholsecondary aliphatic amineazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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