| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:07 UTC |
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| Update Date | 2025-03-25 01:00:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O5 |
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| Molecular Mass | 280.1059 |
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| SMILES | CN1Cc2cc(O)c(O)cc2CC1C(=O)NCC(=O)O |
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| InChI Key | RSYVXSIOYFHOBP-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamino acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestetrahydroisoquinolinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid1-hydroxy-2-unsubstituted benzenoidaralkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidtetrahydroisoquinolineorganopnictogen compoundtertiary amineorganoheterocyclic compoundalpha-amino acid amideazacycletertiary aliphatic aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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