| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:19 UTC |
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| Update Date | 2025-03-21 18:36:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108688 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C10H12O9S |
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| Molecular Mass | 308.0202 |
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| SMILES | Cc1c(C(O)CC(=O)OS(=O)(=O)O)cc(O)c(O)c1O |
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| InChI Key | HBRCJIKSDOOBBL-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesortho cresolspara cresolssecondary alcoholssulfuric acid monoesterstoluenes |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-hydroxy acidorganic oxidep-cresolo-cresolalcoholorganic sulfuric acid or derivativespyrogallol derivativem-cresolhydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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