| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:23 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O3S |
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| Molecular Mass | 258.1038 |
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| SMILES | CS(=O)CCc1c[nH]c(CN)c1CCC(=O)O |
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| InChI Key | XAYUQHHJRSCCLD-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfinyl compoundssulfoxides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundpyrroleorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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