| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:14 UTC |
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| Update Date | 2025-03-25 00:48:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | CCNCC(=O)N1Cc2ccccc2C(O)C1 |
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| InChI Key | ZFVYELIYKQVPIC-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl grouporganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide grouporganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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