| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:33 UTC |
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| Update Date | 2025-03-21 18:36:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109252 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C10H14O5S |
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| Molecular Mass | 246.0562 |
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| SMILES | O=C(CCCc1ccccc1)O[SH](=O)(O)O |
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| InChI Key | UFARWRUDBPNTIQ-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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