| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:12:17 UTC |
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| Update Date | 2025-03-24 20:39:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01519598 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C9H6N2 |
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| Molecular Mass | 142.0531 |
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| SMILES | N#Cc1ccc2c[nH]cc2c1 |
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| InChI Key | IUFFZMNBWAISMC-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 compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | nitrileazacycleisoindoleheteroaromatic compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrile |
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