| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:56 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O5S |
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| Molecular Mass | 244.0405 |
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| SMILES | COc1cc(CC(=O)S(C)(=O)=O)ccc1O |
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| InChI Key | BXXQXSOIHCEZAZ-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 acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfonesthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundcarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundthiolactoneorganooxygen compoundsulfone |
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