| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:43 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O4 |
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| Molecular Mass | 318.158 |
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| SMILES | CN(C)Cc1ccc(COc2ccc(CC(N)C(=O)O)cc2)o1 |
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| InChI Key | ZXEBNHFVMMZKJE-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsamphetamines and derivativesaralkylaminescarbonyl compoundscarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylpropanoic acidstrialkylamines |
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| Substituents | furanphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidalkyl aryl etheraralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativesheteroaromatic compoundtertiary aliphatic amineoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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