| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:52 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221877 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N4O6 |
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| Molecular Mass | 322.0913 |
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| SMILES | O=c1ccn(C2CC(n3ccc(=O)[nH]c3=O)C(CO)O2)c(=O)[nH]1 |
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| InChI Key | WUCWYQXRXMILMN-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | alcoholvinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundpyrimidoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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