| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:37 UTC |
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| Update Date | 2025-03-25 00:55:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214359 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O3 |
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| Molecular Mass | 302.163 |
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| SMILES | CCOC(=O)C(NC(=O)Cc1c[nH]c2ccccc12)C(C)C |
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| InChI Key | WHMZFDURUGTEEL-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 acid estersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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