| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:19 UTC |
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| Update Date | 2025-03-25 00:55:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O2 |
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| Molecular Mass | 244.1212 |
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| SMILES | CC(=O)NC1CC(C)(C)Oc2ccc(C#N)cc21 |
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| InChI Key | RMOZAWHVULFTLB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 2,2-dimethyl-1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethernitrile2,2-dimethyl-1-benzopyranalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileacetamidecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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