| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4S |
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| Molecular Mass | 254.0613 |
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| SMILES | CS(=O)(=O)c1ccc2c(c1)C(CC(=O)O)CC2 |
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| InChI Key | LOSHLQCHYROEQV-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 | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfones |
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| Substituents | carbonyl groupcarboxylic acidaromatic homopolycyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundindanehydrocarbon derivativeorganooxygen compoundsulfone |
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