| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19N3O2 |
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| Molecular Mass | 321.1477 |
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| SMILES | N#Cc1ccc2c(c1)CN(C(=O)C(N)Cc1ccc(O)cc1)CC2 |
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| InChI Key | DXJIXMRDVKMXMQ-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 amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrile1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundamphetamine or derivativesalpha-amino acid amideazacyclecarboxamide grouporganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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