| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:15 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O7 |
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| Molecular Mass | 272.0645 |
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| SMILES | CC(=O)OC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | OYFILSYJQLUYJU-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-diolsacetalsazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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