| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:47 UTC |
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| Update Date | 2025-03-21 18:41:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135858 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C17H24NOS+ |
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| Molecular Mass | 290.1573 |
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| SMILES | Cc1c(CCO)sc[n+]1Cc1ccc(CC(C)C)cc1 |
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| InChI Key | MPGLTIZHSVPILP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolephenylpropaneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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