| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:39:06 UTC |
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| Update Date | 2025-03-24 14:00:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00720483 |
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| Frequency | 2.1 |
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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 | O=COc1cccnc1 |
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| InChI Key | FDOXMFZCZGODNI-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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