| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:35 UTC |
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| Update Date | 2025-03-21 18:07:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068352 |
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| Frequency | 44.3 |
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| Structure | |
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| Chemical Formula | C8H9NO2 |
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| Molecular Mass | 151.0633 |
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| SMILES | COc1ccc(C(C)=O)cn1 |
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| InChI Key | RYOQZXOVBJIUSX-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 | 2-halopyridinesalkyl aryl ethersaryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | etheraryl alkyl ketonearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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