| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:43 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O5 |
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| Molecular Mass | 321.1325 |
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| SMILES | NC(CC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1)C(=O)O |
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| InChI Key | XQEWVRAKEFRYMJ-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-arylpiperazinesorganic oxidesorganopnictogen compoundsphenylpiperazinestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylorganic oxidepiperazinetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundazacycleaniline or substituted anilinesbenzoic acid or derivativescarboxamide groupphenylpiperazineorganic oxygen compound1,4-diazinanedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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