| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O7 |
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| Molecular Mass | 288.0958 |
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| SMILES | COc1ccn(C2OC(C(O)CO)C(O)C2O)c(=O)n1 |
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| InChI Key | PNGJIYUXZOFNQO-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 | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholethercarbonic acid derivativearomatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundmonosaccharidepyrimidonealkyl aryl etheroxacyclesaccharideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound |
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