| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:42 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O2 |
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| Molecular Mass | 217.0851 |
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| SMILES | NC(=O)c1ccncc1NCc1ccco1 |
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| InChI Key | CKSQEVBHEOJROP-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 | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary carboxylic acid amidessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesfuranaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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