| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:23 UTC |
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| Update Date | 2025-03-21 18:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034649 |
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| Frequency | 103.6 |
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| Structure | |
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| Chemical Formula | C15H18N2O5 |
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| Molecular Mass | 306.1216 |
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| SMILES | O=C(O)C(Cc1ccccc1)NC(=O)N1CCCC1C(=O)O |
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| InChI Key | JPNAEJCXKWMYMJ-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidsproline and derivativespyrrolidine carboxylic acidspyrrolidinecarboxamides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganic oxiden-carbamoyl-alpha-amino acid or derivativespyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativescarbonic acid derivativeazacyclen-carbamoyl-alpha-amino acidpyrrolidine carboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundpyrrolidine-1-carboxamide |
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