| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:46 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219313 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO4S |
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| Molecular Mass | 257.0722 |
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| SMILES | COc1cc(C(SCCN)C(=O)O)ccc1O |
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| InChI Key | PMNJFMNNGBSHJP-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioethermethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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