| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:33 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O2S |
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| Molecular Mass | 158.0402 |
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| SMILES | O=C(O)C1SC2CCC1C2 |
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| InChI Key | MMCBMDXPTDMQTC-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 | thianes |
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| Subclass | thianes |
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| Direct Parent | thianes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiolanes |
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| Substituents | thiolanecarbonyl groupcarboxylic aciddialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compoundthiane |
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