| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:31:43 UTC |
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| Update Date | 2025-03-21 19:21:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00277756 |
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| Frequency | 7.3 |
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| Structure | |
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| Chemical Formula | C8H8N2 |
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| Molecular Mass | 132.0687 |
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| SMILES | NC1=NCc2ccccc21 |
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| InChI Key | MTKKGHVQPVOXIL-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 | amidinesazacyclic compoundsbenzenoidscarboximidamideshydrocarbon derivativesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleisoindoleorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactam |
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