| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:41 UTC |
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| Update Date | 2025-03-21 18:29:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078241 |
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| Frequency | 37.4 |
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| Structure | |
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| Chemical Formula | C10H11NO2 |
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| Molecular Mass | 177.079 |
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| SMILES | O=C1CCC(Cc2ccccn2)O1 |
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| InChI Key | PHJXSZINZKRFBX-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 compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivativestetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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