| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:27 UTC |
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| Update Date | 2025-03-21 18:31:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087139 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C14H18NO3S+ |
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| Molecular Mass | 280.1002 |
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| SMILES | COc1cc(C[n+]2csc(CCO)c2C)ccc1O |
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| InChI Key | BEGBTUJSDFDRRT-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4,5-disubstituted thiazolesalcohols and polyolsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic cationsorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundmethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundthiazoleorganooxygen compound |
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