| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:54 UTC |
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| Update Date | 2025-03-21 18:32:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092997 |
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| Frequency | 30.0 |
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| Structure | |
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| Chemical Formula | C9H13N3O6 |
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| Molecular Mass | 259.0804 |
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| SMILES | NCC1(O)OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | NDGSRSNOAVQILY-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 | 1,2-diolsazacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetal1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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