| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038404 |
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| Frequency | 91.2 |
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| Structure | |
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| Chemical Formula | C9H12O8S |
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| Molecular Mass | 280.0253 |
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| SMILES | Cc1c(C(CO)OS(=O)(=O)O)cc(O)c(O)c1O |
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| InChI Key | RLGJXGFSYOIWLM-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 benzenoidsalkyl sulfateshydrocarbon derivativesmeta cresolsorganic oxidesortho cresolspara cresolsprimary alcoholssulfuric acid monoesterstoluenes |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativespyrogallol derivativem-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundp-cresolalkyl sulfateo-cresolsulfate-esterhydrocarbon derivativesulfuric acid esterprimary alcoholtolueneorganooxygen compound |
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