| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:26:30 UTC |
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| Update Date | 2025-03-24 21:10:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01697787 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | COc1ccc(CN)o1 |
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| InChI Key | PXCIUTUMRRGTOY-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 | furansheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | furanaromatic heteromonocyclic compoundheteroaromatic compoundalkyl aryl etheroxacycleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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