| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:30 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238973 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2OS |
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| Molecular Mass | 236.0983 |
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| SMILES | NC(C(=O)N1CCSCC1)c1ccccc1 |
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| InChI Key | PDCXXVXRMOSAJB-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidestertiary carboxylic acid amidesthiomorpholines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamideorganoheterocyclic compound1,4-thiazinanealpha-amino acid amideazacycledialkylthioethercarboxamide grouporganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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