| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:37 UTC |
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| Update Date | 2025-03-21 18:03:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044821 |
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| Frequency | 75.4 |
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| Structure | |
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| Chemical Formula | C9H10O8S |
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| Molecular Mass | 278.0096 |
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| SMILES | Cc1c(O)c(O)c(O)c(C)c1C(=O)OS(=O)(=O)O |
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| InChI Key | WTADAOQLZMIRTJ-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 | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolssulfuric acid monoestersm-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativespyrogallol derivativem-cresolm-xylenebenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundp-cresolo-cresolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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