| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:32 UTC |
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| Update Date | 2025-03-21 17:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020971 |
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| Frequency | 191.8 |
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| Structure | |
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| Chemical Formula | C9H10O9S |
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| Molecular Mass | 294.0046 |
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| SMILES | Cc1c(C(=O)OCOS(=O)(=O)O)cc(O)c(O)c1O |
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| InChI Key | VCMGXPZIHLOLEE-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativessulfuric acid monoesterstoluenesp-hydroxybenzoic acid alkyl esters |
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| Substituents | sulfuric acid monoesterp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidep-cresolalkyl sulfateo-cresolm-hydroxybenzoic acid esterorganic sulfuric acid or derivativespyrogallol derivativem-cresolbenzenetriol1-hydroxy-4-unsubstituted benzenoidp-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
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