| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:33 UTC |
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| Update Date | 2025-03-25 00:57:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223451 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N6O2 |
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| Molecular Mass | 286.1178 |
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| SMILES | N=c1[nH]c(=O)c2c(CNC3C=CC(C(N)=O)=C3)c[nH]c2[nH]1 |
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| InChI Key | WSWHJXLQLZWTOW-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 | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespyrimidonespyrrolesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamamino acid or derivativespyrimidonecarboxylic acid derivativepyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide grouporganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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