| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:45 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N3O5S |
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| Molecular Mass | 249.0419 |
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| SMILES | Cc1ncc(C(CO)OS(=O)(=O)O)c(N)n1 |
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| InChI Key | ZFGRWZVPXHBMEX-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 | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary alcoholsprimary aminessulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esterprimary alcoholimidolactamamineorganooxygen compound |
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