| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:49 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O2S |
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| Molecular Mass | 196.0558 |
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| SMILES | O=C1CCC(CCc2ccsc2)O1 |
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| InChI Key | XSSQAJHTRUZQHV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofuransthiophenes |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranheteroaromatic compoundthiophenecarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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