| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:33 UTC |
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| Update Date | 2025-03-25 00:52:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO |
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| Molecular Mass | 185.0841 |
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| SMILES | C=CC1(O)CCc2ccc(C#N)cc21 |
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| InChI Key | VNCBRFLJOAFFLQ-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 derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | alcoholnitrilearomatic homopolycyclic compoundtertiary alcoholorganic oxygen compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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