| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:11 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115621 |
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| Frequency | 22.8 |
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| Structure | |
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| Chemical Formula | C8H8O7S |
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| Molecular Mass | 247.9991 |
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| SMILES | Cc1c(OS(=O)(=O)O)ccc(C(=O)O)c1O |
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| InChI Key | ZXAJQYALOYYKCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolsphenoxy compoundssalicylic acidssulfuric acid monoesterstoluenesvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylsalicylic acidcarboxylic acid derivativephenylsulfateorganic oxideo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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