| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:55 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O3S |
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| Molecular Mass | 174.0351 |
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| SMILES | O=C(O)CC1SCC=CC1O |
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| InChI Key | QFFKDALTWDQPEA-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 compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddialkylthioetherthiopyrancarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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