| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:10 UTC |
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| Update Date | 2025-03-21 18:35:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105857 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C20H22N2O7 |
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| Molecular Mass | 402.1427 |
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| SMILES | COc1cc(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)ccc1O |
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| InChI Key | GMEGWNVDUFXKON-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupmethoxybenzenesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisoledicarboxylic acid or derivativesphenylalkylaminephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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