| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:05 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O6 |
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| Molecular Mass | 326.1478 |
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| SMILES | NC(=O)Cc1ccc(OCC(O)CNCC(O)CC(=O)O)cc1 |
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| InChI Key | UUFFNIZEJUMRAC-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidgamma amino acid or derivativesalkyl aryl etherbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidealcoholsecondary aliphatic aminehydroxy acidsecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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