| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:35 UTC |
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| Update Date | 2025-03-21 18:37:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114192 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C9H10N2O7 |
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| Molecular Mass | 258.0488 |
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| SMILES | O=C(O)C1(O)CC(O)C(n2ccc(=O)[nH]c2=O)O1 |
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| InChI Key | RQKPIYQTBLLUCU-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidpyrimidonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetalalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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