| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:21 UTC |
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| Update Date | 2025-03-21 18:34:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101387 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C9H8O5S |
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| Molecular Mass | 228.0092 |
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| SMILES | O=C1CCc2cccc(OS(=O)(=O)O)c21 |
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| InChI Key | IQZVUJWTFWYSOB-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 | indanes |
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| Subclass | indanones |
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| Direct Parent | indanones |
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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 ketoneindanonearomatic homopolycyclic compoundketoneorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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