| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:09 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208453 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26N2O6 |
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| Molecular Mass | 414.1791 |
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| SMILES | CC(C)Cc1ccc(CC(N=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(=O)O)cc1 |
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| InChI Key | YQJJGYAJINDRDI-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 | aldiminesalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundphenylpropanealdimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminephenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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