| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:05 UTC |
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| Update Date | 2025-03-21 17:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008663 |
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| Frequency | 564.2 |
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| Structure | |
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| Chemical Formula | C12H16N3OS+ |
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| Molecular Mass | 250.1009 |
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| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)cn1 |
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| InChI Key | VQHUTXGNVACRAT-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 | 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 | alcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolepyrimidineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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