| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:37 UTC |
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| Update Date | 2025-03-25 01:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6S |
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| Molecular Mass | 272.0355 |
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| SMILES | CC1(C)CC(=O)c2cc(OS(=O)(=O)O)c(O)cc21 |
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| InChI Key | KYHMJENYVXILKU-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl alkyl ketonesarylsulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketoneindanone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundketoneorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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