| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224458 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3S |
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| Molecular Mass | 172.0194 |
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| SMILES | O=C(O)C(=O)C1CC=CCS1 |
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| InChI Key | FYPJEXGSWBCYER-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 | alpha-keto acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioetherthiopyrancarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherketo acidaliphatic heteromonocyclic compoundalpha-keto acidhydrocarbon derivativeorganooxygen compound |
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