| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:20 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252439 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N3O3 |
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| Molecular Mass | 197.08 |
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| SMILES | NCc1[nH]cnc1CC(=O)CC(=O)O |
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| InChI Key | QWSATJHGSSUPTB-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 | keto acids and derivatives |
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| Subclass | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbeta-hydroxy ketonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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