| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:13 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O4S |
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| Molecular Mass | 192.0456 |
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| SMILES | CSCCC(=O)C(O)CC(=O)O |
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| InChI Key | OXPUWQISOFJNAQ-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesbeta hydroxy acids and derivativescarboxylic acidsdialkylthioethersfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholssulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetheracyloinsecondary alcoholhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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