| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:54 UTC |
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| Update Date | 2025-03-21 17:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003632 |
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| Frequency | 1601.1 |
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| Structure | |
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| Chemical Formula | C8H10O4S |
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| Molecular Mass | 202.03 |
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| SMILES | Cc1ccc(C)c(OS(=O)(=O)O)c1 |
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| InChI Key | CLCCTVXAPVYLKM-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersp-xylenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundxylenephenylsulfateorganic oxidep-xyleneorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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