| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:01:46 UTC |
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| Update Date | 2025-03-24 20:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01637886 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H6O2S |
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| Molecular Mass | 142.0088 |
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| SMILES | CC(=O)C1=CCSC1=O |
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| InChI Key | JLQMLUCEDICJJT-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 | carbothioic s-lactonescarboxylic acids and derivativeshydrocarbon derivativesketonesorganic oxidesthioestersthiolactones |
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| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid ester2,5-dihydrothiophenecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganooxygen compound |
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