| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:56 UTC |
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| Update Date | 2025-03-21 18:02:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040759 |
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| Frequency | 91.0 |
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| Structure | |
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| Chemical Formula | C6H6N4O3 |
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| Molecular Mass | 182.044 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2[nH][nH]c(=O)c21 |
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| InChI Key | BZWJJKQUIZNRRW-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 | pyrazolopyrimidines |
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| Subclass | pyrazolopyrimidines |
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| Direct Parent | pyrazolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolespyrazolonespyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonepyrazolepyrimidineorganic oxidepyrazolopyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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