| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:43 UTC |
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| Update Date | 2025-03-25 00:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232665 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O7 |
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| Molecular Mass | 364.1271 |
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| SMILES | CCC1CN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(=O)O1 |
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| InChI Key | QPJKSGRKYZSUSX-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 | alpha amino acidsazacyclic compoundsbenzoyl derivativescarbamate esterscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolidinonessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino acidhippuric acid or derivativescarbamic acid esterbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideoxazolidinoneorganic oxygen compoundoxazolidinedicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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