| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:18 UTC |
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| Update Date | 2025-03-25 01:00:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O3 |
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| Molecular Mass | 292.1787 |
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| SMILES | CCN(CC)CC(=O)OCC(=O)Nc1c(C)cccc1C |
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| InChI Key | JIHDGPVDEGLUPK-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 esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylaminesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminealpha-amino acid estertertiary aliphatic aminem-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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