| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:59:29 UTC |
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| Update Date | 2025-03-24 20:33:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01488319 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | Cc1cc[n+]([O-])c(C)n1 |
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| InChI Key | PTCHPKUFHWYPEK-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 | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidines and pyrimidine derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | organic oxideorganic oxygen compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine |
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