| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:58 UTC |
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| Update Date | 2025-03-21 17:57:09 UTC |
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| HMDB ID | HMDB0041789 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006065 |
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| Name | Vanillin 4-sulfate |
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| Frequency | 862.7 |
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| Structure | |
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| Chemical Formula | C8H8O6S |
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| Molecular Mass | 232.0042 |
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| SMILES | COc1cc(C=O)ccc1OS(=O)(=O)O |
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| InChI Key | OUIKMDRGUNIXSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzaldehydesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretherbenzoylaldehydealkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundphenylsulfatebenzaldehydeorganic oxidearyl-aldehydeorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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