| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:33:09 UTC |
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| Update Date | 2025-03-24 20:22:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01426784 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C7H10N2O |
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| Molecular Mass | 138.0793 |
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| SMILES | Cn1ccc(C(=O)CN)c1 |
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| InChI Key | LRVUXUPOIHSNRG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrrolesvinylogous amides |
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| Substituents | vinylogous amiden-methylpyrrolearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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