| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:30 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO3 |
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| Molecular Mass | 303.1834 |
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| SMILES | CCCCCC=C(O)C(C)=NC(Cc1ccccc1)C(=O)O |
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| InChI Key | VMJHWZVNQDYLSD-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 | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidiminepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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