| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:56 UTC |
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| Update Date | 2025-03-21 18:05:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059637 |
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| Frequency | 52.7 |
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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(C(=O)O)ccc1OS(C)(=O)=O |
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| InChI Key | UIECTSNVAQLISS-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 acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmethanesulfonatesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesethercarboxylic acidbenzoylalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzeneorganosulfonic acid esteraromatic homomonocyclic compoundmethanesulfonatemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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