| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:24 UTC |
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| Update Date | 2025-03-21 17:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020678 |
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| Frequency | 223.7 |
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| Structure | |
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| Chemical Formula | C9H11N5O2 |
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| Molecular Mass | 221.0913 |
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| SMILES | CC(=O)NCc1c[nH]c2[nH]c(=N)[nH]c(=O)c12 |
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| InChI Key | XVWVFESGTYHNRJ-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacycleheteroaromatic compoundpyrimidonecarboxamide groupcarboxylic acid derivativepyrimidinesecondary carboxylic acid amideorganic oxidepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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