| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:29 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188744 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5S |
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| Molecular Mass | 268.0405 |
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| SMILES | CC1(C)C=Cc2cc(OS(=O)(=O)O)ccc2C1=O |
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| InChI Key | SSOWVGQVRXSESX-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 | aryl alkyl ketonesarylsulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonearomatic homopolycyclic compoundketoneorganic oxidenaphthaleneorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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