| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:41 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O |
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| Molecular Mass | 230.1168 |
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| SMILES | NC(=O)c1ccc2nc(C3CCCN3)[nH]c2c1 |
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| InChI Key | PIQWPLUACIGZCV-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolidines |
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| Substituents | primary carboxylic acid amidesecondary aliphatic amineazacycleamino acid or derivativesheteroaromatic compoundsecondary aminecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidineorganooxygen compoundamineazole |
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