| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:51 UTC |
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| Update Date | 2025-03-25 00:47:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O5S |
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| Molecular Mass | 260.0467 |
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| SMILES | O=c1ccn(C2OC(CO)C(S)C2O)c(=O)[nH]1 |
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| InChI Key | XLEPCHXWMBPPBC-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 | alkylthiolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | alcoholvinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundpyrimidoneorganosulfur compoundoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholalkylthiolorganooxygen compound |
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