| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:45 UTC |
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| Update Date | 2025-03-21 18:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028401 |
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| Frequency | 132.6 |
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| Structure | |
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| Chemical Formula | C13H16NO2S+ |
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| Molecular Mass | 250.0896 |
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| SMILES | Cc1c(CCO)sc[n+]1Cc1ccc(O)cc1 |
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| InChI Key | GFAIARHJHTWJAQ-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 | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid4,5-disubstituted 1,3-thiazoleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compound |
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