| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:10 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201641 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO |
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| Molecular Mass | 197.0841 |
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| SMILES | Cc1c(O)c(C#N)c2ccccc2c1C |
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| InChI Key | AJRTVABIBZPJFO-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 | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic homopolycyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2-naphtholcarbonitrileorganooxygen compound |
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