| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:03 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26N3O2+ |
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| Molecular Mass | 304.202 |
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| SMILES | C[N+](C)(C)C(CCC(N)C(=O)O)Cc1c[nH]c2ccccc12 |
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| InChI Key | FDILRYAHAXOENK-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 acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium 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 compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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