| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:12 UTC |
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| Update Date | 2025-03-21 18:01:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031812 |
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| Frequency | 198.9 |
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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 | N=c1[nH]c(=O)c2c(CC(=O)O)c[nH]c2[nH]1 |
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| InChI Key | ULSQPYUCBQOFLP-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 | pyrrolo[2,3-d]pyrimidines |
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| Direct Parent | pyrrolo[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamcarboxylic acidazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrimidineorganic oxidemonocarboxylic acid or derivativespyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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