| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:17 UTC |
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| Update Date | 2025-03-21 18:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029628 |
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| Frequency | 126.0 |
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| Structure | |
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| Chemical Formula | C9H10O6S |
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| Molecular Mass | 246.0198 |
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| SMILES | COc1cc(CC(=O)O)ccc1OS(=O)O |
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| InChI Key | RPFCCLAQVUVVCO-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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