| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:52 UTC |
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| Update Date | 2025-03-25 00:52:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4S |
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| Molecular Mass | 252.0456 |
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| SMILES | CC1=C(CC(=O)O)S(=O)(=O)c2ccc(C)cc21 |
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| InChI Key | UZTIONAUGWSLAZ-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 | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compoundssulfones |
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| Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compoundsulfone |
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