| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:35 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021111 |
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| Frequency | 190.1 |
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| Structure | |
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| Chemical Formula | C13H16NOS+ |
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| Molecular Mass | 234.0947 |
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| SMILES | Cc1c(CCO)sc[n+]1Cc1ccccc1 |
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| InChI Key | KFFCZLRCIKDJRE-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 compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compound |
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