| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:08 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153824 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO |
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| Molecular Mass | 199.0997 |
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| SMILES | CC(=O)CC1CCc2cc(C#N)ccc21 |
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| InChI Key | SJGVXPDKTHCCDM-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupnitrilearomatic homopolycyclic compoundketoneorganic oxideorganic oxygen compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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