| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:47 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059272 |
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| Frequency | 53.1 |
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| Structure | |
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| Chemical Formula | C6H6O3S |
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| Molecular Mass | 158.0038 |
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| SMILES | O=C1C=C(C(=O)O)CSC1 |
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| InChI Key | FQIUQLCMANHGPO-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 | thiopyrans |
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| Subclass | thiopyrans |
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| Direct Parent | thiopyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketonesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioethercyclic ketonethiopyrancarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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