| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4S |
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| Molecular Mass | 254.0613 |
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| SMILES | COSOc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | IRLUWIYUPPUTPD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic hyposulfitesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganic hyposulfitecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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