| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:15 UTC |
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| Update Date | 2025-03-21 18:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024874 |
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| Frequency | 156.0 |
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| Structure | |
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| Chemical Formula | C14H18N2O2 |
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| Molecular Mass | 246.1368 |
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| SMILES | O=C(C1CCCN1)N1Cc2ccccc2C(O)C1 |
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| InChI Key | YTUHXKPVZGPYAZ-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 compoundspyrrolidinecarboxamidessecondary alcoholstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl grouporganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundalcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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