| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:46 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017053 |
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| Frequency | 248.8 |
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| Structure | |
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| Chemical Formula | C9H10O7S |
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| Molecular Mass | 262.0147 |
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| SMILES | COc1ccc(C(=O)OS(=O)(=O)O)cc1OC |
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| InChI Key | NGFVCFMQSMGEPW-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 | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acids and derivativesbenzoyl derivativesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesp-methoxybenzoic acids and derivativesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherbenzoylalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxideo-dimethoxybenzenem-methoxybenzoic acid or derivativesorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundp-methoxybenzoic acid or derivativesanisolehydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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