| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:18 UTC |
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| Update Date | 2025-03-25 00:54:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO2 |
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| Molecular Mass | 211.0633 |
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| SMILES | c1ccc(Oc2nc3ccccc3o2)cc1 |
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| InChI Key | XSPQHOJEUTZTON-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 | azacyclic compoundsbenzoxazolesheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietyazacyclebenzoxazoleheteroaromatic compoundoxazoleoxacyclearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganoheterocyclic compoundazole |
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