| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:31 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161340 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO3 |
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| Molecular Mass | 311.1521 |
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| SMILES | NC(Cc1ccccc1)C(=O)CC(Cc1ccccc1)C(=O)O |
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| InChI Key | BTINEDXTJIOCDJ-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino fatty acidsamphetamines and derivativesbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidketoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesamphetamine or derivativesamino fatty acidbranched fatty acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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