| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:29 UTC |
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| Update Date | 2025-03-21 18:02:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037336 |
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| Frequency | 94.4 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | O=C(CCCc1ccccc1)OS(=O)O |
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| InChI Key | ZTNDPQVHONNRSZ-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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