| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:19 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O2S |
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| Molecular Mass | 321.1511 |
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| SMILES | COc1ccc2[nH]cc(CCNC(=O)C(N)CCSC)c2c1 |
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| InChI Key | KCMBKWBKKNDLKT-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acid amidesalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylphenol ethercarbonyl groupetherindolefatty amidealkyl aryl etherorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundalpha-amino acid amideazacycledialkylthioetherheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetheranisolepyrrolemethionine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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