| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:59 UTC |
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| Update Date | 2025-03-21 18:36:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112733 |
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| Frequency | 23.5 |
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| Structure | |
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| Chemical Formula | C15H24N2O2 |
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| Molecular Mass | 264.1838 |
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| SMILES | CCC(C)C(N)C(=O)NC(CO)Cc1ccccc1 |
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| InChI Key | VSAQCXYUHOTNJS-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 | isoleucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholisoleucine or derivativesamphetamine or derivativesalcoholalpha-amino acid amidecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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