| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:08 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238140 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O2S |
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| Molecular Mass | 172.0306 |
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| SMILES | O=C(O)CCc1c[nH][nH]c1=S |
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| InChI Key | CFOLNYWOIBOOQY-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | pyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiolactams |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthiolactamorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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