| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:14 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23N2O2+ |
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| Molecular Mass | 263.1754 |
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| SMILES | C[N+]1(CCCCC(N)C(=O)O)CCc2ccccc21 |
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| InChI Key | HGRCNQWTTRYVKD-UHFFFAOYSA-O |
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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 | aminesamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganic saltorganoheterocyclic compoundazacyclequaternary ammonium saltindole or derivativesamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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