| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23N3 |
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| Molecular Mass | 317.1892 |
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| SMILES | CN1CCN(C2c3ccccc3CCc3cc(C#N)ccc32)CC1 |
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| InChI Key | FBCZJXMFUBLMCE-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 | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesazacyclic compoundshydrocarbon derivativesn-methylpiperazinesnitrilesorganopnictogen compoundstrialkylamines |
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| Substituents | nitrileazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinedibenzocycloheptenearalkylaminepiperazinearomatic heteropolycyclic compound1,4-diazinaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminecarbonitriletertiary amineorganoheterocyclic compound |
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