| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:34:02 UTC |
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| Update Date | 2025-03-25 01:29:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02418149 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H5N3O |
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| Molecular Mass | 111.0433 |
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| SMILES | COc1nccnn1 |
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| InChI Key | STMNOIJVSYNGTL-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 | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-triazinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkyl aryl etherorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganoheterocyclic compound |
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