| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:03 UTC |
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| Update Date | 2025-03-25 01:02:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254017 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21NO4 |
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| Molecular Mass | 327.1471 |
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| SMILES | CC(Cc1ccc(-c2ccc(CC(N)C(=O)O)cc2)cc1)C(=O)O |
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| InChI Key | SJLWJHCTVQUDRV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | Not Available |
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| Subclass | lignans, neolignans and related compounds |
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| Direct Parent | lignans, neolignans and related compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-amino acid or derivativescarboxylic acid derivativeneolignan skeletonphenylpropanearomatic homomonocyclic compoundorganic oxidephenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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