| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:24 UTC |
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| Update Date | 2025-03-21 18:38:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120936 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C8H12N4O4 |
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| Molecular Mass | 228.0859 |
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| SMILES | CC(O)C(O)C1Nc2c([nH]c(N)nc2=O)O1 |
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| InChI Key | ZJAUWEHGGZVJLR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssecondary alkylarylaminesvinylogous amidesvinylogous esters |
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| Substituents | alcoholvinylogous amideazacyclevinylogous esterheteroaromatic compoundpyrimidonesecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound1,2-diol |
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