| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:54 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155603 |
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| Frequency | 0.5 |
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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 | Cc1ccc(OCC(=O)O)c(S(=O)(=O)O)c1 |
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| InChI Key | ICQAOABWEUZEIM-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidsphenol ethersphenoxy compoundssulfonylstoluenes |
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| Substituents | phenol etherorganosulfonic acid or derivativesphenoxyacetatecarbonyl groupethercarboxylic acidorganosulfonic acidbenzenesulfonatealkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxidebenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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