| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:30 UTC |
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| Update Date | 2025-03-21 18:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032534 |
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| Frequency | 112.2 |
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| Structure | |
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| Chemical Formula | C14H18NOS+ |
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| Molecular Mass | 248.1104 |
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| SMILES | Cc1ccc(C[n+]2csc(CCO)c2C)cc1 |
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| InChI Key | BCLKTEGCUVXIRX-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 compoundstoluenes |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationtolueneorganooxygen compound |
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