| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:43 UTC |
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| Update Date | 2025-03-21 18:31:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087726 |
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| Frequency | 56.2 |
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| Structure | |
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| Chemical Formula | C7H8N2O |
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| Molecular Mass | 136.0637 |
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| SMILES | CC(=O)C=Cc1c[nH]cn1 |
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| InChI Key | NBHXPTGFNFNAIC-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acryloyl compoundsazacyclic compoundsenonesheteroaromatic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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