| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:32 UTC |
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| Update Date | 2025-03-21 18:40:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130725 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C9H12N2O3 |
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| Molecular Mass | 196.0848 |
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| SMILES | Cn1cc(C(=O)NCCO)ccc1=O |
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| InChI Key | DCVMUZINGQIUOJ-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 | alcohols and polyolsalkanolaminesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsn-acylethanolaminesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactamaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalkanolaminealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylethanolaminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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