| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:27 UTC |
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| Update Date | 2025-03-21 18:33:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096695 |
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| Frequency | 28.6 |
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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 | O=C(CC(O)c1cccc2ccccc12)OS(=O)(=O)O |
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| InChI Key | YXTFVTPBZOFPPE-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 | aromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic homopolycyclic compoundhydroxy acidcarboxylic acid derivativebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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