| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:50 UTC |
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| Update Date | 2025-03-21 18:37:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117238 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C10H14O5S |
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| Molecular Mass | 246.0562 |
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| SMILES | COc1ccc(C(C)(C)OS(=O)(=O)O)cc1 |
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| InChI Key | NDVKAFKNNIEGDZ-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 aryl ethersalkyl sulfatesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesalkyl aryl ethermethoxybenzenephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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