| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:59 UTC |
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| Update Date | 2025-03-21 18:35:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105417 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C12H17NO4 |
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| Molecular Mass | 239.1158 |
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| SMILES | Cc1cn(C2CC(O)C(CO)O2)cc(C)c1=O |
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| InChI Key | QBSHECXGKPTRFV-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 compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | alcoholvinylogous amidearomatic heteromonocyclic compoundazacycletetrahydrofuranpolyhalopyridineheteroaromatic compoundhydroxypyridinemonosaccharidecyclic ketoneoxacyclesaccharideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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