| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O3S |
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| Molecular Mass | 270.1038 |
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| SMILES | CCS(=O)(=O)NCC(=O)Nc1c(C)cccc1C |
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| InChI Key | OOQNYHCAJFTDRO-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganic sulfonamidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidesm-xylenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupn-arylamideorganosulfur compoundorganosulfonic acid amidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amideaminosulfonyl compoundm-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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