| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:33 UTC |
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| Update Date | 2025-03-21 18:39:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125952 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C8H8O6S |
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| Molecular Mass | 232.0042 |
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| SMILES | O=C(O)Cc1cc(S(=O)(=O)O)ccc1O |
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| InChI Key | ARSLPNVDCGZZMX-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 | phenylacetic acids |
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| Direct Parent | 2(hydroxyphenyl)acetic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acid1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound2(hydroxyphenyl)acetic acidbenzenesulfonyl group |
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