| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:35 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N6O5 |
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| Molecular Mass | 400.1495 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(=O)NCCC(N)C(=O)O)c2cc1C |
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| InChI Key | XDHDKJNKSYLLTE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pteridines and derivatives |
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| Subclass | alloxazines and isoalloxazines |
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| Direct Parent | flavins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativeflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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