| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:21 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O4S |
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| Molecular Mass | 173.9987 |
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| SMILES | O=C(O)C1=CC(O)C(=O)SC1 |
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| InChI Key | UKQDNLYTLAMSQV-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 | carbonyl compoundscarbothioic s-lactonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthioestersthiolactones |
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| Substituents | carbothioic s-lactonealcoholthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidthiocarboxylic acid esterthiopyrancarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativethiolactoneorganooxygen compound |
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