| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:25 UTC |
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| Update Date | 2025-03-21 18:28:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072732 |
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| Frequency | 41.1 |
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| Structure | |
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| Chemical Formula | C14H18NO2S+ |
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| Molecular Mass | 264.1053 |
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| SMILES | COc1ccc(C[n+]2csc(CCO)c2C)cc1 |
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| InChI Key | YXASDBVEFLYVRY-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalcohols and polyolsalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic cationsorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | alcoholmonocyclic benzene moietyetheraromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkyl aryl ethermethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationphenoxy compoundthiazoleorganoheterocyclic compoundorganooxygen compoundazole |
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