| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:53 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O7 |
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| Molecular Mass | 341.1223 |
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| SMILES | CC(C)c1c(C(=O)NC(CC(=O)O)C(=O)O)cnn1CCC(=O)O |
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| InChI Key | PMMXOXSNUDVJQO-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazolessecondary carboxylic acid amidestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativespyrazoleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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