| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:12 UTC |
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| Update Date | 2025-03-21 18:39:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127540 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C14H20N2O2 |
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| Molecular Mass | 248.1525 |
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| SMILES | CC(C)C(N)C(=O)N1Cc2ccccc2C(O)C1 |
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| InChI Key | SBVMDDRUJAYBKH-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 | valine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | alcoholcarbonyl groupalpha-amino acid amideazacyclevaline or derivativescarboxamide grouporganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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