| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O3S |
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| Molecular Mass | 188.0507 |
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| SMILES | COC(=O)CCC1CCC(=O)S1 |
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| InChI Key | ALKISNIGAPCQNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-lactoneshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesthioestersthiolactonesthiolanes |
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| Substituents | thiolanecarbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupthiocarboxylic acid estercarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compound |
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