| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:22:03 UTC |
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| Update Date | 2025-03-24 22:02:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01971523 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6OS |
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| Molecular Mass | 126.0139 |
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| SMILES | CC1=C=C(C)C(=O)S1 |
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| InChI Key | VTBIVKUFGJSMKK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carbothioic s-lactones |
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| Subclass | carbothioic s-lactones |
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| Direct Parent | carbothioic s-lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesthioestersthiolactones |
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| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid estercarboxylic acid derivativeorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compound |
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