| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:33 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O6S |
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| Molecular Mass | 274.026 |
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| SMILES | O=C(O)C1SC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | GJYLCAGVSSKBAO-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-diolsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsthiolanesvinylogous amides |
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| Substituents | thiolanecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycledialkylthioetherheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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