| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:18 UTC |
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| Update Date | 2025-03-21 17:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009169 |
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| Frequency | 528.4 |
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| Structure | |
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| Chemical Formula | C8H10O7S |
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| Molecular Mass | 250.0147 |
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| SMILES | COc1ccc(C(O)OS(=O)(=O)O)cc1O |
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| InChI Key | UBRRSKLYKBTKGZ-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolealkyl sulfatesulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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