| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:55 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O8S |
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| Molecular Mass | 302.0096 |
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| SMILES | O=C(O)CC1c2ccc(OS(=O)(=O)O)cc2C(=O)C1O |
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| InChI Key | BFYKLUZSOIWMDG-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 ketonesarylsulfatescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesaryl alkyl ketoneindanonearomatic homopolycyclic compoundcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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