| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:44 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H26Cl2FNO |
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| Molecular Mass | 457.1375 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCC(c2ccc(Cl)c(Cl)c2)c2ccccc21 |
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| InChI Key | VCWVAEJAVBVSRG-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 chloridesaryl fluoridesdialkyl ethersdichlorobenzenesfluorobenzeneshydrocarbon derivativesorganochloridesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideetherorganochlorideorganohalogen compounddialkyl etherfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisochromane1,2-dichlorobenzenetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenebenzopyranorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compound2-benzopyranhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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