| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:21 UTC |
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| Update Date | 2025-03-21 18:41:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137138 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C10H12N2O |
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| Molecular Mass | 176.095 |
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| SMILES | O=C(c1ccccn1)N1CCCC1 |
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| InChI Key | VVSBDPSFOBQHNU-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 derivativesheteroaromatic compoundshydrocarbon derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundn-acylpyrrolidinecarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyrrolidineorganooxygen compound |
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