| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:22:09 UTC |
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| Update Date | 2025-03-21 22:16:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00537691 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C7H8N2O |
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| Molecular Mass | 136.0637 |
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| SMILES | O=C1NCCc2cc[nH]c21 |
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| InChI Key | XPUKFLRNQGXONK-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | lactamazacycleheteroaromatic compound2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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