| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:46 UTC |
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| Update Date | 2025-03-25 00:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O6 |
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| Molecular Mass | 338.1478 |
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| SMILES | NC(=O)Cc1ccc(OCC(O)CN2CC(O)CC2C(=O)O)cc1 |
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| InChI Key | HRQQNELDUASQCY-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidespyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | primary carboxylic acid amidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acidalkyl aryl etherorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinephenylacetamidetertiary amineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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