| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:02 UTC |
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| Update Date | 2025-03-21 18:38:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122465 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C11H12N2 |
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| Molecular Mass | 172.1 |
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| SMILES | CC1NCCc2cc(C#N)ccc21 |
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| InChI Key | DWGQBCAUPLYJIP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesnitrilesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminenitrileazacyclesecondary aminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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