| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:25 UTC |
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| Update Date | 2025-03-25 00:54:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204496 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O3S |
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| Molecular Mass | 174.0351 |
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| SMILES | O=CC=CCCSCC(=O)O |
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| InChI Key | SPZPEDYKHBWEPW-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aldehydesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheraldehydeorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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