| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O7S |
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| Molecular Mass | 264.0304 |
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| SMILES | COc1cc(C)cc(OCOS(=O)(=O)O)c1O |
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| InChI Key | SZYPQPUUTLNRQO-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 | alkyl aryl ethersalkyl sulfatesanisoleshydrocarbon derivativesmethoxybenzenesorganic oxidespara cresolsphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesmethoxyphenolalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundp-cresolanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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