| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O3S |
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| Molecular Mass | 282.1038 |
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| SMILES | CC(=O)SCCNC(=O)C(N)Cc1ccc(O)cc1 |
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| InChI Key | IEQSFNNGBXGCEY-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneamphetamine or derivativesthiocarboxylic acid or derivativestyrosine or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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