| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:10 UTC |
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| Update Date | 2025-03-25 01:01:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N6O3 |
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| Molecular Mass | 236.0658 |
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| SMILES | CC(O)C(=O)c1nnc2[nH]c(N)nc(=O)c2n1 |
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| InChI Key | TVQKZPBUAZXCGA-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2,4-triazinesacyloinsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | aryl alkyl ketonepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundacyloinsecondary alcoholtriazinehydrocarbon derivativeprimary amineorganic nitrogen compound1,2,4-triazineamine |
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