| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:11 UTC |
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| Update Date | 2025-03-25 00:55:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213389 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25ClN2 |
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| Molecular Mass | 328.1706 |
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| SMILES | CN(C)CCCC1(c2ccccc2)c2ccc(Cl)cc2CC1N |
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| InChI Key | XWGVPPYFPKMKSK-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 homopolycyclic compounds |
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| Alternative Parents | aryl chlorideshydrocarbon derivativesindanesmonoalkylaminesorganochloridesorganopnictogen compoundstrialkylamines |
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| Substituents | aryl chlorideorganochloridetertiary aliphatic aminearomatic homopolycyclic compoundorganohalogen compoundaryl halidephenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundaminetertiary amine |
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