| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:06 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO2 |
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| Molecular Mass | 251.0946 |
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| SMILES | O=CCc1c[nH]c2ccc(Oc3ccccc3)cc12 |
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| InChI Key | RUUCQFIFQRNMPL-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 | diarylethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspyrroles |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupazacycleindoleheteroaromatic compoundindole or derivativesaldehydeorganic oxidearomatic heteropolycyclic compoundalpha-hydrogen aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganoheterocyclic compound |
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