| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:32 UTC |
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| Update Date | 2025-03-21 18:36:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109216 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C9H8N2 |
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| Molecular Mass | 144.0687 |
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| SMILES | N#Cc1ccc2c(c1)CNC2 |
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| InChI Key | NHIKDNWKXUBYHV-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 | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesisoindolinesnitrilesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminenitrileazacycleisoindolesecondary amineisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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