| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:31 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125901 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | Cc1ccc(C)c(C(=O)OS(=O)(=O)O)c1O |
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| InChI Key | BWSDQFVZJYMGSD-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolssulfuric acid monoestersvinylogous acidsp-xylenesp-xylenols |
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| Substituents | sulfuric acid monoesterbenzoylcarboxylic acid derivativexyleneorganic oxidexylenolo-cresolorganic sulfuric acid or derivativesm-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundsalicylic acid or derivativesp-xylenolphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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