| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:28 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161217 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23N3O2S |
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| Molecular Mass | 381.1511 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)CS |
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| InChI Key | GIQLNXXVIQOTIB-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 heteropolycyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupindolefatty amideorganosulfur compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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