| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:47 UTC |
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| Update Date | 2025-03-21 18:36:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112234 |
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| Frequency | 23.7 |
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| Structure | |
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| Chemical Formula | C11H12O4S |
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| Molecular Mass | 240.0456 |
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| SMILES | O=C1CCC(Cc2cccc(S(=O)O)c2)O1 |
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| InChI Key | FBWCMCUUABPJMX-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acidstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuransulfinic acid derivativeorganosulfur compoundcarboxylic acid derivativesulfinic acidgamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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