| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:52 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207823 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N4O5 |
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| Molecular Mass | 304.0808 |
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| SMILES | Nc1ncnc2ccc(C(=O)NC(CC(=O)O)C(=O)O)cc12 |
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| InChI Key | MRORHHLSVUXEAC-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesquinazolinaminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesquinazolinaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundquinazolineamineorganooxygen compound |
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