| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:08 UTC |
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| Update Date | 2025-03-21 18:35:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105745 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C16H15N5O5 |
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| Molecular Mass | 357.1073 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(=O)NCC(=O)O)c2cc1C |
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| InChI Key | MGAJLIYLVXTYMJ-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonepteridineisoalloxazineflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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