| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203626 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O2S |
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| Molecular Mass | 186.0715 |
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| SMILES | O=C(O)CCSC1C=CCCC1 |
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| InChI Key | MIRDVAZULIBZGJ-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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