| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:49 UTC |
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| Update Date | 2025-03-21 18:02:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040449 |
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| Frequency | 85.4 |
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| Structure | |
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| Chemical Formula | C19H20N2O7 |
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| Molecular Mass | 388.1271 |
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| SMILES | COc1ccc(CC(N=CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(=O)O)cc1 |
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| InChI Key | PCROJOVKPAURKO-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 | aldiminesalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidiminetricarboxylic acid or derivativesalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesorganoheterocyclic compoundsecondary aliphatic amineazacyclemethoxylated amphetaminetetrahydropyridineorganic 1,3-dipolar compoundsecondary aminemethoxybenzenephenylalanine or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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