| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:09 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050835 |
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| Frequency | 64.4 |
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| Structure | |
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| Chemical Formula | C9H12O5S |
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| Molecular Mass | 232.0405 |
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| SMILES | COc1ccc(C(C)OS(=O)(=O)O)cc1 |
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| InChI Key | IHTNDHPBVCFSOT-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 sulfateshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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