| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:33 UTC |
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| Update Date | 2025-03-25 00:51:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188875 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26N2O9 |
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| Molecular Mass | 438.1638 |
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| SMILES | CC(O)C(O)C1CN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)CC1C(=O)O |
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| InChI Key | XJDPKVSHMKODHW-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-diols1,3-aminoalcoholsalpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylamineshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylpyrrolidinespyrrolespyrrolidine carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidinearomatic heteromonocyclic compoundamino acidbenzoyltricarboxylic acid or derivativesbenzamideorganic oxidetertiary aliphatic/aromatic aminepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminepyrrolidineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compound1,2-dioln-acyl-alpha amino acid or derivativesalcohol1,3-aminoalcoholazacyclen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupaminobenzamidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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