| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:01 UTC |
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| Update Date | 2025-03-25 00:58:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O5 |
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| Molecular Mass | 322.1529 |
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| SMILES | CCN(CC)CCOC(=O)c1ccccc1C(=O)NCC(=O)O |
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| InChI Key | ZKAQQRNWPQBQPT-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzoate esterbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminehippuric acid or derivativestertiary aliphatic aminebenzoic acid or derivativescarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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