| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:55 UTC |
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| Update Date | 2025-03-25 00:51:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O4S |
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| Molecular Mass | 178.03 |
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| SMILES | C=CCSCC(O)(O)C(=O)O |
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| InChI Key | AQLPUMHENZONJM-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 | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundscarbonyl compoundscarbonyl hydratescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundcarbonyl hydratedialkylthioetheralpha-hydroxy acidallyl sulfur compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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