| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:47 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205343 |
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| Frequency | 0.5 |
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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 | NC(Cc1ccccc1)C(=O)N1CC(C(=O)O)C(C(=O)O)C1 |
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| InChI Key | BHUJDLLHNIERCQ-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 acid amides |
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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 derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidineorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacyclecarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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