| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:54 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217290 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO6S |
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| Molecular Mass | 341.0933 |
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| SMILES | NC(CSC1CC(=O)OCC1Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | BSIDICKFXHVGNR-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundlactoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compoundsulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundthioethercysteine or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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