| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:58 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29N3O4 |
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| Molecular Mass | 399.2158 |
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| SMILES | CN(CC(=O)O)CC(O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1 |
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| InChI Key | YAROWJVDXDNVQU-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalpha amino acid amidesalpha amino acidsamino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminessecondary alcoholssecondary carboxylic acid amidestrialkylamines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidfatty amideorganic oxidephenylbutylaminealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineamphetamine or derivativesalcoholalpha-amino acid amide1,2-aminoalcoholtertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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