| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:27:28 UTC |
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| Update Date | 2025-03-25 00:18:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01270361 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | O=C1Cc2[nH]ccc2N1 |
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| InChI Key | OPYRETPBRCRXQU-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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