| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N4O |
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| Molecular Mass | 216.1011 |
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| SMILES | NC(=O)c1[nH]cnc1NCc1ccccc1 |
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| InChI Key | HSGJEGZXWLCVFN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupmonocyclic benzene moietyaromatic heteromonocyclic compoundamino acid or derivatives2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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