| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:57 UTC |
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| Update Date | 2025-03-25 00:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O2 |
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| Molecular Mass | 232.1212 |
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| SMILES | CC(N)C(=O)OCCc1c[nH]c2ccccc12 |
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| InChI Key | GMQSACKERFXRQB-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 esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolealanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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