| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:05 UTC |
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| Update Date | 2025-03-21 18:02:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041113 |
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| Frequency | 83.7 |
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| Structure | |
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| Chemical Formula | C8H8N4O3 |
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| Molecular Mass | 208.0596 |
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| SMILES | Nc1nc(=O)c2c([nH]1)CCC(C(=O)O)=N2 |
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| InChI Key | DGZHQQZXJGLGGB-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 | pyridopyrimidines |
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| Subclass | pyridopyrimidines |
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| Direct Parent | pyridopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyridines and derivativespyrimidonesvinylogous amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonecarboxylic acid derivativepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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