| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:44 UTC |
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| Update Date | 2025-03-25 01:00:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241817 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O3 |
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| Molecular Mass | 212.0909 |
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| SMILES | CC(O)C(O)C(=O)c1c(N)ncnc1N |
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| InChI Key | DEVLDRPKUHNZCN-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 | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsazacyclic compoundsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alcoholsvinylogous amides |
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| Substituents | beta-hydroxy ketonearyl alkyl ketonearomatic heteromonocyclic compoundmonosaccharidepyrimidinesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycleheteroaromatic compoundacyloinsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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