| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:56 UTC |
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| Update Date | 2025-03-21 17:58:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013040 |
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| Frequency | 345.6 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | O=C1CCC(c2cccnc2)O1 |
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| InChI Key | TUQJJRAPYHGKLP-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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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 compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundcarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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