| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:58 UTC |
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| Update Date | 2025-03-25 00:49:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N3O3+ |
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| Molecular Mass | 318.1812 |
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| SMILES | CN(C)Cc1ccc(C[n+]2cccc(CCC(N)C(=O)O)c2)o1 |
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| InChI Key | BRQMGRQQUDPWGX-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridineoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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