| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:58 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240030 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6S |
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| Molecular Mass | 244.0042 |
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| SMILES | O=C1CCc2c(OS(=O)(=O)O)ccc(O)c21 |
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| InChI Key | FQKDHBJUMHRYGC-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 monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketoneindanone1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundketonevinylogous acidorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatesulfuric acid esterorganooxygen compoundaryl ketone |
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