| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:02 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151220 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N3O2S+ |
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| Molecular Mass | 292.1114 |
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| SMILES | Cc1ncc(C[n+]2csc(CCC(=O)O)c2C)c(C)n1 |
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| InChI Key | DNDHRYMVZNQFIN-UHFFFAOYSA-O |
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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 | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivative4,5-disubstituted 1,3-thiazolepyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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