| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:06 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24N2O6 |
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| Molecular Mass | 388.1634 |
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| SMILES | NC(Cc1ccc(NCC(O)COc2ccc(CC(=O)O)cc2)cc1)C(=O)O |
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| InChI Key | AMFDGGVRFAWRKF-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 | alkyl aryl ethersalpha amino acidsamino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylalkylaminesphenylpropanoic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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