| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:40 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4S |
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| Molecular Mass | 268.0769 |
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| SMILES | COc1cc(CC2CCC(=O)O2)cc(SC)c1O |
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| InChI Key | UIWQVQOAIGBYJP-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioethersanisolescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfenyl compoundstetrahydrofuransthiophenol ethersthiophenols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmethoxyphenolalkyl aryl etheralkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherlactoneorganic oxidethiophenolthiophenol etherorganoheterocyclic compoundsulfenyl compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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