| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:48 UTC |
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| Update Date | 2025-03-21 18:33:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097599 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C8H8N2O2 |
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| Molecular Mass | 164.0586 |
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| SMILES | Cc1ncc(C#N)c(CO)c1O |
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| InChI Key | TZPCTFCJIZOHRY-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 | pyridines and derivatives |
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| Subclass | 3-pyridinecarbonitriles |
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| Direct Parent | 3-pyridinecarbonitriles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | aromatic alcoholalcoholnitrilearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine3-pyridinecarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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