| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:35 UTC |
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| Update Date | 2025-03-21 18:33:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097049 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C8H10O2S |
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| Molecular Mass | 170.0402 |
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| SMILES | COC(=O)CCc1cccs1 |
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| InChI Key | USTRJLXKHMURIF-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundthiophenecarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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