| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:17 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051143 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | O=C(NCCCN1CCCC1=O)c1cccnc1 |
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| InChI Key | NCGSTBZSFCHECQ-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivatives2-pyrrolidonecarbonyl grouplactamaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneazacyclen-alkylpyrrolidineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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