| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:48 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21N3O7 |
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| Molecular Mass | 391.138 |
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| SMILES | CC(=O)NC1C(=O)N(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C1C |
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| InChI Key | POEVBWLVSRQCPP-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 | acetamidesacylaminobenzoic acid and derivativesalpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonobactamsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylazetidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonobactambenzoylbenzamideorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesacylaminobenzoic acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupazetidinesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound1-phenylazetidinebeta-lactamorganooxygen compound |
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