| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:03 UTC |
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| Update Date | 2025-03-25 01:00:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244900 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22Cl2N2O |
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| Molecular Mass | 388.1109 |
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| SMILES | CN(C)CCCC1(c2ccc(Cl)c(Cl)c2)Cc2cc(C#N)ccc2CO1 |
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| InChI Key | UZPVZQISBVLUSH-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 | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzopyransaryl chloridesdialkyl ethersdichlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | ethernitrileorganochlorideorganohalogen compounddialkyl etherphenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisochromane1,2-dichlorobenzenecarbonitriletertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenebenzopyrantertiary aliphatic aminearyl halideoxacycleorganic oxygen compound2-benzopyranhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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