| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:48:55 UTC |
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| Update Date | 2025-03-21 20:04:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00316979 |
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| Frequency | 6.2 |
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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=c1[nH][nH]c2cccnc12 |
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| InChI Key | XBVTWEMNKKHPEH-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 | pyrazolopyridines |
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| Subclass | pyrazolopyridines |
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| Direct Parent | pyrazolopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyrazolespyrazolonespyridines and derivativesvinylogous amides |
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| Substituents | vinylogous amidelactamazacyclepolyhalopyridineheteroaromatic compoundpyrazolopyridinepyrazoleorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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