| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:57 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O6 |
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| Molecular Mass | 284.1008 |
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| SMILES | COC1C(O)C(CO)OC1n1c(C(N)=O)cccc1=O |
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| InChI Key | MFACIPFGPDFXFA-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidespyridinonessecondary alcoholstetrahydrofurans |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesetherlactamaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivative2-heteroaryl carboxamidedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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