| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:23:34 UTC |
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| Update Date | 2025-03-21 18:38:06 UTC |
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| HMDB ID | HMDB0242129 |
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| Metabolite Identification |
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| DeepMet ID | DMID00119005 |
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| Name | (2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C13H12O6S |
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| Molecular Mass | 296.0355 |
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| SMILES | CC(C(=O)O)c1ccc2cc(OS(=O)(=O)O)ccc2c1 |
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| InChI Key | BNKMSCMOWGCUOF-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesaromatic homopolycyclic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compound |
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