| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:28 UTC |
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| Update Date | 2025-03-21 17:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004927 |
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| Frequency | 1113.0 |
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| Structure | |
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| Chemical Formula | C6H7NO |
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| Molecular Mass | 109.0528 |
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| SMILES | COc1ccccn1 |
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| InChI Key | IWTFOFMTUOBLHG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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