| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:20 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151912 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O3 |
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| Molecular Mass | 276.1474 |
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| SMILES | NC(CCCCCC1C(O)=Nc2ccccc21)C(=O)O |
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| InChI Key | RHXPSDBMTYVVOH-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-alkylindolesamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty acid3-alkylindolemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleindole or derivativesorganic 1,3-dipolar compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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