| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:57:48 UTC |
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| Update Date | 2025-03-21 20:08:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00337816 |
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| Frequency | 5.7 |
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| Structure | |
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| Chemical Formula | C6H5N3 |
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| Molecular Mass | 119.0483 |
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| SMILES | C1=Cc2cc(ncn2)N1 |
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| InChI Key | XYQXTXZIQWPYHN-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | azacycleheteroaromatic compoundsecondary aliphatic/aromatic aminepyrimidinearomatic heteropolycyclic compoundorganopnictogen compoundhydrocarbon derivativeimidolactamorganoheterocyclic compound |
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