| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:06 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2 |
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| Molecular Mass | 168.0899 |
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| SMILES | CC(=O)CC(O)Cc1cnc[nH]1 |
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| InChI Key | JTFWJMGVEXQXIR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | beta-hydroxy ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxideimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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