| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:18:43 UTC |
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| Update Date | 2025-03-24 20:00:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01102698 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C8H5N3 |
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| Molecular Mass | 143.0483 |
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| SMILES | N#Cc1c[nH]c2ccncc12 |
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| InChI Key | CPPNWRGCFHESRE-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 | pyrrolopyridines |
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| Subclass | pyrrolopyridines |
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| Direct Parent | pyrrolopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyrroles |
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| Substituents | nitrileazacyclepyrrolopyridinepolyhalopyridineheteroaromatic compoundpyridinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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