| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:20 UTC |
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| Update Date | 2025-03-21 18:37:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116007 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | NCC(=O)N1Cc2ccccc2CC1C(=O)O |
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| InChI Key | AICIWZXBCZBZMU-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid amideazacyclealpha-amino acid or derivativescarboxamide groupalpha-dipeptideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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