| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:24 UTC |
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| Update Date | 2025-03-21 18:34:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099051 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C12H9NO |
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| Molecular Mass | 183.0684 |
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| SMILES | COc1ccc2cc(C#N)ccc2c1 |
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| InChI Key | SWEFYGCKCMJSPD-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 | alkyl aryl ethersanisoleshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | phenol etherethernitrilearomatic homopolycyclic compoundalkyl aryl ethernaphthaleneorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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