| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:09 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151467 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO |
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| Molecular Mass | 131.0371 |
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| SMILES | N#Cc1ccc2c(c1)OC2 |
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| InChI Key | ZCSBSYIJBTYYFI-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 heteropolycyclic compounds |
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| Alternative Parents | benzenoidshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | nitrilealkyl aryl etheroxacyclearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganoheterocyclic compound |
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