| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O2 |
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| Molecular Mass | 196.096 |
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| SMILES | NC(=O)c1cc(NCCO)cnc1N |
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| InChI Key | DJTMQQLOUGEVPK-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 derivativeshydroxypyridinesimidolactamsnicotinamidesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminesprimary carboxylic acid amidessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamalkanolaminealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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