| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:50 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4S |
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| Molecular Mass | 218.0613 |
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| SMILES | CC(O)(C(=O)O)C(=O)C1CCSCC1 |
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| InChI Key | FCYFACRXCNKSRO-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsalpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcoholsthianes |
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| Substituents | alcoholbeta-hydroxy ketonecarbonyl groupcarboxylic aciddialkylthioetheralpha-hydroxy acidhydroxy acidcarboxylic acid derivativebeta-keto acidketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheracyloinaliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundthiane |
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