| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:08 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206098 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O |
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| Molecular Mass | 191.1059 |
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| SMILES | NC(=O)c1ccc(N2CCCC2)cn1 |
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| InChI Key | GXBUGASPOOKCJV-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 carboxamidesamino acids and derivativesaminopyridines and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyrrolidines |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecarboxylic acid derivative2-heteroaryl carboxamideorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compound2-halopyridinedialkylarylaminepyrrolidineaminopyridinetertiary amineazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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