| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:30 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14O4S |
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| Molecular Mass | 230.0613 |
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| SMILES | Cc1ccccc1C(C)(C)OS(=O)(=O)O |
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| InChI Key | WGJPICIQKBCUPG-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesterstoluenes |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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