| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:02 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162488 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O5S |
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| Molecular Mass | 234.0562 |
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| SMILES | O=C(O)C1SC2C(CC1O)CC(O)C2O |
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| InChI Key | VRCSQBWBZGUZGC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsthianes |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddialkylthioethercyclic alcoholcarboxylic acid derivativealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundthiane |
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