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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