| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184198 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O2 |
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| Molecular Mass | 181.0851 |
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| SMILES | NC(=O)c1ccnc(NCCO)c1 |
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| InChI Key | YGGMRYHOIGMKNW-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-halopyridinesalcohols and polyolsalkanolaminesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamalkanolaminealcoholazacycleheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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