| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:01 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233308 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4S |
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| Molecular Mass | 278.0613 |
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| SMILES | CC(c1ccccc1)c1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | IRLCXCWHFWVAFS-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diphenylmethanesulfuric acid monoesterorganic sulfuric acid or derivativesaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compound |
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