| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:49 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26N2O8 |
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| Molecular Mass | 410.1689 |
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| SMILES | CC(O)C(O)C1CC(O)N(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C1 |
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| InChI Key | IJZPHGJYWCGTNT-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkanolaminesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpyrrolidinespyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminepyrrolidineorganoheterocyclic compoundalkanolamine1,2-dioln-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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