| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:36 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO7S |
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| Molecular Mass | 317.0569 |
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| SMILES | O=C(O)C1CCC(Cc2ccc(O)c(OS(=O)(=O)O)c2)N1 |
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| InChI Key | WTQVZSHTNMDBDP-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatespyrrolidine carboxylic acidssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidphenylsulfateorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatepyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineorganic sulfuric acid or derivativesazacyclesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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