| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:47:50 UTC |
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| Update Date | 2025-03-24 20:54:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01604219 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | O=CCc1cnccn1 |
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| InChI Key | XRQPKSMCHXAJGB-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 | diazines |
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| Subclass | pyrazines |
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| Direct Parent | pyrazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundaldehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydepyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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