| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:05 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3S |
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| Molecular Mass | 200.0507 |
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| SMILES | CC(=O)C1CSCC(C)=C1C(=O)O |
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| InChI Key | SEGVFFHVQFYMAX-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesthiopyrans |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioetherthiopyrancarboxylic acid derivativegamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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