| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:30 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O2S |
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| Molecular Mass | 188.0871 |
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| SMILES | CC1(C)CCSCCC1C(=O)O |
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| InChI Key | XWFYAOQWQBEFON-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 | thiepanes |
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| Subclass | thiepanes |
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| Direct Parent | thiepanes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundthiepanehydrocarbon derivativeorganooxygen compound |
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