| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:26 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211580 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O2 |
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| Molecular Mass | 230.1055 |
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| SMILES | CC(=O)NC1c2cc(C#N)ccc2OCC1C |
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| InChI Key | BDUIFBBWIGDZCE-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 | acetamidesalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupethernitrile1-benzopyranalkyl aryl ethercarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileacetamideorganooxygen compound |
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