| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:53 UTC |
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| Update Date | 2025-03-21 17:56:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003571 |
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| Frequency | 1630.6 |
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| Structure | |
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| Chemical Formula | C7H6O7S |
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| Molecular Mass | 233.9834 |
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| SMILES | O=C(O)c1cc(OS(=O)(=O)O)ccc1O |
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| InChI Key | XKAUVSKGVSQBFW-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-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssalicylic acidssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativephenylsulfateorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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