| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:00 UTC |
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| Update Date | 2025-03-25 00:51:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O2S |
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| Molecular Mass | 196.0558 |
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| SMILES | C=CC=CC1=C(C)C(C(=O)O)SC1 |
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| InChI Key | AGWXIUVBPRSVLY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrothiophenes |
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| Subclass | dihydrothiophenes |
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| Direct Parent | dihydrothiophenes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioether2,5-dihydrothiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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