| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:51 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203179 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O3S |
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| Molecular Mass | 202.0412 |
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| SMILES | O=C(O)CC1C2CSC1NC(=O)N2 |
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| InChI Key | PQFXSPSWBWUIQP-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 | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdiazinanesfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthia fatty acidsthiohemiaminal derivativesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidpyrimidonecarboxylic acid derivativealiphatic heteropolycyclic compound1,3-diazinaneorganic oxideorganonitrogen compoundhemithioaminalorganopnictogen compoundcarbonic acid derivativeazacycledialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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