| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:21 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048981 |
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| Frequency | 72.8 |
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| Structure | |
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| Chemical Formula | C15H18N2O3S |
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| Molecular Mass | 306.1038 |
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| SMILES | CSCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | ZFWYXTUFNHHSMD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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