| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:09 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249742 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | Cc1cc(S(=O)(=O)N2CCCC2C(=O)O)ccc1O |
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| InChI Key | KNGIRCNISYVXHQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesortho cresolspyrrolidine carboxylic acidssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxidepyrrolidine carboxylic acido-cresolorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundbenzenesulfonyl groupproline or derivativesbenzenesulfonamideazacyclemonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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