| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:35 UTC |
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| Update Date | 2025-03-21 18:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032716 |
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| Frequency | 111.4 |
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| Structure | |
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| Chemical Formula | C10H12O8S |
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| Molecular Mass | 292.0253 |
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| SMILES | COc1cc(CC(=O)O)ccc1OCOS(=O)(=O)O |
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| InChI Key | VAGTUBXWNWHMQL-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidorganic sulfuric acid or derivativesalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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