| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:19 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14N2O2 |
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| Molecular Mass | 254.1055 |
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| SMILES | N#Cc1cccc(Oc2ccc(CCN)cc2O)c1 |
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| InChI Key | AIIACXFORJLUNC-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 | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzonitrilesdiarylethershydrocarbon derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrile1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compounddiphenylethercarbonitrileorganooxygen compound |
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