| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:35 UTC |
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| Update Date | 2025-03-21 18:05:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056409 |
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| Frequency | 82.9 |
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| Structure | |
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| Chemical Formula | C12H14N4O3 |
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| Molecular Mass | 262.1066 |
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| SMILES | O=c1nc[nH]c2[nH]cc(CNC3C=CC(O)C3O)c12 |
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| InChI Key | OIHSWYRJGGJNLN-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 | 1,2-diolsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrimidonespyrrolessecondary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundpyrimidonesecondary aminepyrimidineorganic oxidepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine1,2-diol |
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