| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:08 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N2O2S+ |
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| Molecular Mass | 279.1162 |
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| SMILES | COc1cc(C[n+]2csc(CCN)c2C)ccc1O |
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| InChI Key | WUBZRGDUIWYUGS-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 thiazolesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic cationsorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundmethoxybenzene4,5-disubstituted 1,3-thiazoleorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundthiazoleorganooxygen compound |
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