| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:47 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175673 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO2 |
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| Molecular Mass | 199.0633 |
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| SMILES | COc1cccc2ccc(O)c(C#N)c12 |
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| InChI Key | FKJJNYDIORBLJK-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 | naphthalenes |
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| Subclass | naphthols and derivatives |
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| Direct Parent | naphthols and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | phenol etherethernitrile1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundalkyl aryl etherorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2-naphtholcarbonitrileorganooxygen compound |
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