| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170899 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7N3O |
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| Molecular Mass | 125.0589 |
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| SMILES | CNc1cc[n+]([O-])cn1 |
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| InChI Key | LFKPJEOIUWAUGC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | secondary alkylarylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary aliphatic/aromatic aminepyrimidineorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeimidolactamorganoheterocyclic compound |
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