| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:27 UTC |
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| Update Date | 2025-03-21 18:38:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118729 |
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| Frequency | 30.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O7 |
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| Molecular Mass | 326.0862 |
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| SMILES | Cn1c(=O)c2c(=O)nc[nH]c2n(C2OC(CO)C(O)C2O)c1=O |
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| InChI Key | UBPBRYCCKOGVTD-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | lactammonosaccharidepyrimidoneureasaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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