| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:32:22 UTC |
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| Update Date | 2025-03-21 18:42:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00139483 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C6H6N4O2 |
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| Molecular Mass | 166.0491 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)C(=O)CN2 |
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| InChI Key | ITZNOJPGSLPAAJ-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 | pyrrolopyrimidines |
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| Subclass | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonespyrrolessecondary alkylarylaminesvinylogous amides |
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| Substituents | lactamaryl alkyl ketonepyrimidonepyrimidineketonepyrrolopyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamvinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrrolehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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