| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:27:29 UTC |
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| Update Date | 2025-03-24 21:11:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01700112 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H5NO2 |
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| Molecular Mass | 123.032 |
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| SMILES | c1cnc2c(c1)OCO2 |
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| InChI Key | YIIOTOBXQVQGSV-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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