| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:30 UTC |
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| Update Date | 2025-03-25 00:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27N3O4 |
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| Molecular Mass | 349.2002 |
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| SMILES | CC(=NC(CC(C)C)C(O)NC(Cc1ccccc1)C(=O)O)C(N)=O |
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| InChI Key | OEZKZIGMAHLQTH-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 acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | primary carboxylic acid amideketiminemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidiminehemiaminalpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalkanolaminesecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminecarboxamide grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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