| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:10 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100913 |
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| Frequency | 32.4 |
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| Structure | |
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| Chemical Formula | C23H26N2O6 |
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| Molecular Mass | 426.1791 |
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| SMILES | O=C(NC(Cc1ccccc1)C(O)=NC(Cc1ccccc1)C(=O)O)OC1CCOC1 |
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| InChI Key | GRCGAJHTKPKJTH-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 | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbamate esterscarbonyl compoundscarboximidic acidscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydrofurans |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-aciddialkyl etherpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativescarbonic acid derivativetetrahydrofurancarbamic acid esterorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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