| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:53 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H19N3O3 |
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| Molecular Mass | 361.1426 |
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| SMILES | N#Cc1ccc(C2(Cn3ccnc3)OCC(COc3ccccc3)O2)cc1 |
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| InChI Key | RRSBNSXKZOTAJJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersazacyclic compoundsbenzonitrilesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolaneethernitrilearomatic heteromonocyclic compoundalkyl aryl etheracetalimidazoleketalorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundbenzonitrileoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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