| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:36 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097095 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C19H20N2 |
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| Molecular Mass | 276.1626 |
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| SMILES | N#Cc1ccc2c(c1)CCC2(CCCN)c1ccccc1 |
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| InChI Key | PYPUBDBLMYYVKH-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 | hydrocarbon derivativesindanesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic homopolycyclic compoundphenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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