| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:11 UTC |
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| Update Date | 2025-03-25 00:53:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199389 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H27N3O5 |
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| Molecular Mass | 437.1951 |
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| SMILES | Cc1ccc2c(c1)C1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2 |
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| InChI Key | DANOZTNFOVIDQK-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativeshydroquinolinesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylpyrrolidinespyridines and derivativespyrrolespyrrolopyridinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-phenylpyrrolidineamino acidbenzoylbenzamideorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylaminepyrrolidinetetrahydroquinolineaminobenzoic acid or derivativestertiary amineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclepyrrolopyridinen-acyl-alpha-amino acidhippuric acid or derivativesaniline or substituted anilinesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupaminobenzamidesecondary aliphatic/aromatic aminesecondary carboxylic acid amidepyridineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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