| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:37 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250804 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O6S |
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| Molecular Mass | 260.0355 |
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| SMILES | O=C(O)CC(O)Cc1cccc(S(=O)(=O)O)c1 |
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| InChI Key | NJNCZWMCIGRTHO-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssecondary alcoholssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidbenzenesulfonateorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidebenzenesulfonyl groupalcohol1-sulfo,2-unsubstituted aromatic compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganooxygen compound |
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