| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:05 UTC |
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| Update Date | 2025-03-25 00:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H21ClN2O |
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| Molecular Mass | 340.1342 |
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| SMILES | CN(C)CCC1(c2ccc(Cl)cc2)Cc2ccc(C#N)cc2CO1 |
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| InChI Key | AYQUXIOJBWKIPY-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 | 2-benzopyrans |
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| Direct Parent | 2-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzenesdialkyl ethershydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | monocyclic benzene moietyethernitrileorganochlorideorganohalogen compounddialkyl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary aminearyl chloridechlorobenzenetertiary aliphatic aminearyl halideoxacycleorganic oxygen compound2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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