| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:54 UTC |
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| Update Date | 2025-03-21 18:29:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078778 |
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| Frequency | 37.1 |
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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 | COc1cccc(OC)c1C(=O)OS(=O)(=O)O |
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| InChI Key | PVLXHWBXJBJFFG-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 | o-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 oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethersulfuric acid monoesteretherorganic sulfuric acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compounddimethoxybenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisoleo-methoxybenzoic acid or derivativeshydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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