| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O6S |
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| Molecular Mass | 258.0198 |
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| SMILES | COc1cc(OS(=O)(=O)O)c2c(c1)C(=O)CC2 |
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| InChI Key | KPYALCWBNLUXNL-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 | alkyl aryl ethersanisolesaryl alkyl ketonesarylsulfateshydrocarbon derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesaryl alkyl ketoneindanonearomatic homopolycyclic compoundalkyl aryl etherketoneorganic oxideorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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