| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:39 UTC |
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| Update Date | 2025-03-25 00:58:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O |
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| Molecular Mass | 216.1263 |
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| SMILES | CN(C)CC1CCc2ccc(C#N)cc2O1 |
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| InChI Key | MNMRKLNGHRKPJW-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 | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidshydrocarbon derivativesnitrilesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | ethernitrile1-benzopyrantertiary aliphatic aminealkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amineorganooxygen compound |
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