| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:40 UTC |
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| Update Date | 2025-03-21 18:02:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037758 |
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| Frequency | 93.1 |
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| Structure | |
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| Chemical Formula | C13H20N3O11P |
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| Molecular Mass | 425.0835 |
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| SMILES | CC(=O)NC1C(O)C(n2ccc(=O)[nH]c2=O)OC1C(O)C(O)COP(=O)(O)O |
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| InChI Key | QTKQANGFEHDETN-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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