| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O2 |
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| Molecular Mass | 192.0899 |
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| SMILES | NC(=O)C1(c2ccccn2)CCCO1 |
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| InChI Key | SQFJHDVTCHLCBU-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 acids and derivativesdialkyl ethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyridines and derivativestetrahydrofurans |
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| Substituents | primary carboxylic acid amidecarbonyl groupetheraromatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupcarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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