| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:55:01 UTC |
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| Update Date | 2025-03-25 01:14:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02327454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5N3O |
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| Molecular Mass | 135.0433 |
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| SMILES | O=C1Cc2cncnc2N1 |
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| InChI Key | NCIZQRMMYUHTDP-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 | pyrrolopyrimidines |
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| Direct Parent | pyrrolopyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativepyrimidinepyrrolopyrimidinesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganooxygen compound |
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