| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:41 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O8 |
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| Molecular Mass | 300.0594 |
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| SMILES | O=C(O)CCCC(C(=O)O)n1c(C(=O)O)cc(=O)[nH]c1=O |
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| InChI Key | WJQQEURQVJIYIG-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 | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonetricarboxylic acid or derivativesalpha-amino acid or derivativespyrimidineorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativespyrimidine-6-carboxylic acidorganoheterocyclic compoundorganooxygen compound |
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