| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:23 UTC |
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| Update Date | 2025-03-25 00:57:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225263 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO |
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| Molecular Mass | 195.0684 |
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| SMILES | CC(=O)c1cccc2ccc(C#N)cc12 |
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| InChI Key | PXQXJCPXOAKGJE-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 | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketoneshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilearyl alkyl ketonearomatic homopolycyclic compoundketoneorganic oxidenaphthaleneorganic oxygen compoundorganonitrogen compoundacetophenoneorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundaryl ketone |
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