| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:55 UTC |
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| Update Date | 2025-03-25 00:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N2O12PS |
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| Molecular Mass | 403.9927 |
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| SMILES | O=c1ccn(C2OC(CO)C(OS(=O)(=O)O)C2OP(=O)(O)O)c(=O)[nH]1 |
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| InChI Key | VEEYOVZHGBELMN-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 sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesterlactamaromatic heteromonocyclic compoundpyrimidoneorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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