| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:04:25 UTC |
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| Update Date | 2025-03-24 21:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01644439 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | COc1c(C)cc[nH]c1=O |
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| InChI Key | DYSJOLSDJUDLEO-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinones |
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| Substituents | etherlactamaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganooxygen compound |
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