| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:39 UTC |
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| Update Date | 2025-03-25 00:46:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24N2O4 |
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| Molecular Mass | 356.1736 |
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| SMILES | Cc1ccc(CC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)O)c(C)c1 |
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| InChI Key | OGOLRLCEJWWAMV-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amidestyrosine and derivativesm-xylenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amide1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativestyrosine or derivativesalpha-amino acid amiden-acyl-alpha-amino acidm-xylenecarboxamide grouparomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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