| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O6S |
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| Molecular Mass | 282.0198 |
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| SMILES | CC(=O)Oc1ccc2ccc(OS(=O)(=O)O)cc2c1 |
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| InChI Key | KMFLKVUROGYFIS-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | arylsulfatescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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