| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:41:36 UTC |
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| Update Date | 2025-03-24 22:11:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02018400 |
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| Frequency | 0.6 |
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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 | COc1cc(=O)ccn1C |
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| InChI Key | SOSBYIQGIFQPKM-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 compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amidesvinylogous esters |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacyclevinylogous esterheteroaromatic compoundmethylpyridinecyclic ketonealkyl aryl etherorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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