| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:53 UTC |
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| Update Date | 2025-03-25 00:51:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O5 |
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| Molecular Mass | 346.1529 |
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| SMILES | CC(C)C(NC(=O)C(CC(=O)O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | GBKVNATYUYNZKM-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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